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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H23NO4
Molecular Weight	329.3902
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-METHOXY-4-NITRO-ESTRA-1,3,5(10)-TRIEN-17-ONE

Structure Search

SMILES

COC1=C(C2=C(C=C1)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC2)[N+]([O-])=O

InChI

InChIKey=QDFCXLJPTBSDPF-BFDPJXHCSA-N

InChI=1S/C19H23NO4/c1-19-10-9-12-11-5-7-16(24-2)18(20(22)23)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H23NO4
Molecular Weight	329.3902
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 18:02:43 GMT 2025` Edited by `admin` on `Mon Mar 31 18:02:43 GMT 2025`
Record UNII	G484L3U0O2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

NSC-321803

Preferred Name

English

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

Systematic Name

English

4-NITROESTRONE 3-METHYL ETHER

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2255