4-NITROESTRONE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H21NO4
Molecular Weight	315.3636
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-NITROESTRONE

Structure Search

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4[N+]([O-])=O)[C@@H]1CCC2=O

InChI

InChIKey=WNYWRAYXFFPPGN-QDTBLXIISA-N

InChI=1S/C18H21NO4/c1-18-9-8-11-10-4-6-15(20)17(19(22)23)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,20H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H21NO4
Molecular Weight	315.3636
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:49:44 GMT 2025` Edited by `admin` on `Mon Mar 31 21:49:44 GMT 2025`
Record UNII	IM60NNH5BH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-239728

Preferred Name

English

4-NITROESTRONE

Common Name

English

1,3,5(10)-ESTRATRIEN-4-NITRO-3-OL-17-ONE

Common Name

English

3-HYDROXY-4-NITROESTRA-1,3,5(10)-TRIEN-17-ONE

Systematic Name

English

NSC-32058

Code

English

ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-HYDROXY-4-NITRO-

Systematic Name

English

Code System Code Type Description

NSC

32058

Created by admin on Mon Mar 31 21:49:44 GMT 2025 , Edited by admin on Mon Mar 31 21:49:44 GMT 2025

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FDA UNII

IM60NNH5BH

Created by admin on Mon Mar 31 21:49:44 GMT 2025 , Edited by admin on Mon Mar 31 21:49:44 GMT 2025

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CAS

5976-74-9

Created by admin on Mon Mar 31 21:49:44 GMT 2025 , Edited by admin on Mon Mar 31 21:49:44 GMT 2025

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EPA CompTox

DTXSID90975172

Created by admin on Mon Mar 31 21:49:44 GMT 2025 , Edited by admin on Mon Mar 31 21:49:44 GMT 2025

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NSC

239728

Created by admin on Mon Mar 31 21:49:44 GMT 2025 , Edited by admin on Mon Mar 31 21:49:44 GMT 2025

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PUBCHEM

233497

Created by admin on Mon Mar 31 21:49:44 GMT 2025 , Edited by admin on Mon Mar 31 21:49:44 GMT 2025

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