3-NITROBENZO(A)PYRENE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H11NO2
Molecular Weight	297.3068
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-NITROBENZO(A)PYRENE

Structure Search

SMILES

[O-][N+](=O)C1=C2C=CC3=CC4=C(C=CC=C4)C5=CC=C(C=C1)C2=C35

InChI

InChIKey=CQIJHYPCKYZMIV-UHFFFAOYSA-N

InChI=1S/C20H11NO2/c22-21(23)18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11H

HIDE SMILES / InChI

Molecular Formula	C20H11NO2
Molecular Weight	297.3068
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:55:43 GMT 2025` Edited by `admin` on `Mon Mar 31 18:55:43 GMT 2025`
Record UNII	R4GCL2XE8T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-NITROBENZO(A)PYRENE

Systematic Name

English

3-NITROBENZ(A)PYRENE

Preferred Name

English

NITROBENZO(A)PYRENE, 3-

Systematic Name

English

Code System Code Type Description

CAS

70021-98-6

Created by admin on Mon Mar 31 18:55:43 GMT 2025 , Edited by admin on Mon Mar 31 18:55:43 GMT 2025

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EPA CompTox

DTXSID30220310

Created by admin on Mon Mar 31 18:55:43 GMT 2025 , Edited by admin on Mon Mar 31 18:55:43 GMT 2025

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FDA UNII

R4GCL2XE8T

Created by admin on Mon Mar 31 18:55:43 GMT 2025 , Edited by admin on Mon Mar 31 18:55:43 GMT 2025

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PUBCHEM

50961

Created by admin on Mon Mar 31 18:55:43 GMT 2025 , Edited by admin on Mon Mar 31 18:55:43 GMT 2025

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HSDB

8188

Created by admin on Mon Mar 31 18:55:43 GMT 2025 , Edited by admin on Mon Mar 31 18:55:43 GMT 2025

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