3-HYDROXY-2-METHOXY-3-(NITROMETHYL)-2-PHENYLCHROMEN-4-ONE

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Details

Stereochemistry	MIXED
Molecular Formula	C17H15NO6
Molecular Weight	329.3041
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0
Stereo Comments	Assumed mixed

SHOW SMILES / InChI

Structure of 3-HYDROXY-2-METHOXY-3-(NITROMETHYL)-2-PHENYLCHROMEN-4-ONE

Structure Search

SMILES

COC1(OC2=CC=CC=C2C(=O)C1(O)C[N+]([O-])=O)C3=CC=CC=C3

InChI

InChIKey=PBZFEPNRSHWVMA-UHFFFAOYSA-N

InChI=1S/C17H15NO6/c1-23-17(12-7-3-2-4-8-12)16(20,11-18(21)22)15(19)13-9-5-6-10-14(13)24-17/h2-10,20H,11H2,1H3

HIDE SMILES / InChI

Molecular Formula	C17H15NO6
Molecular Weight	329.3041
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:23:38 GMT 2025` Edited by `admin` on `Tue Apr 01 20:23:38 GMT 2025`
Record UNII	032IK3ZVSW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-HYDROXY-2-METHOXY-3-(NITROMETHYL)-2-PHENYLCHROMEN-4-ONE

Systematic Name

English

NSC-102032

Preferred Name

English

4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-3-HYDROXY-2-METHOXY-3-(NITROMETHYL)-2-PHENYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30990667

Created by admin on Tue Apr 01 20:23:38 GMT 2025 , Edited by admin on Tue Apr 01 20:23:38 GMT 2025

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CAS

70460-54-7

Created by admin on Tue Apr 01 20:23:38 GMT 2025 , Edited by admin on Tue Apr 01 20:23:38 GMT 2025

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PUBCHEM

265701

Created by admin on Tue Apr 01 20:23:38 GMT 2025 , Edited by admin on Tue Apr 01 20:23:38 GMT 2025

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FDA UNII

032IK3ZVSW

Created by admin on Tue Apr 01 20:23:38 GMT 2025 , Edited by admin on Tue Apr 01 20:23:38 GMT 2025

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NSC

102032

Created by admin on Tue Apr 01 20:23:38 GMT 2025 , Edited by admin on Tue Apr 01 20:23:38 GMT 2025

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