Isopropyl 3-nitro-p-toluate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H13NO4
Molecular Weight	223.2252
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Isopropyl 3-nitro-p-toluate

Structure Search

SMILES

CC(C)OC(=O)C1=CC(=C(C)C=C1)[N+]([O-])=O

InChI

InChIKey=RRJBUFUVPLLLJD-UHFFFAOYSA-N

InChI=1S/C11H13NO4/c1-7(2)16-11(13)9-5-4-8(3)10(6-9)12(14)15/h4-7H,1-3H3

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Isopropyl 3-nitro-p-toluate

Common Name

English

Benzoic acid, 4-methyl-3-nitro-, 1-methylethyl ester

Systematic Name

English

1-Methylethyl 4-methyl-3-nitrobenzoate

Common Name

English

Code System Code Type Description

CAS

22913-12-8

Created by admin on Sat Dec 16 12:28:00 GMT 2023 , Edited by admin on Sat Dec 16 12:28:00 GMT 2023

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EPA CompTox

DTXSID80177461

Created by admin on Sat Dec 16 12:28:00 GMT 2023 , Edited by admin on Sat Dec 16 12:28:00 GMT 2023

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PUBCHEM

89900

Created by admin on Sat Dec 16 12:28:00 GMT 2023 , Edited by admin on Sat Dec 16 12:28:00 GMT 2023

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ECHA (EC/EINECS)

245-320-3

Created by admin on Sat Dec 16 12:28:00 GMT 2023 , Edited by admin on Sat Dec 16 12:28:00 GMT 2023

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FDA UNII

AXS9XA3UV7

Created by admin on Sat Dec 16 12:28:00 GMT 2023 , Edited by admin on Sat Dec 16 12:28:00 GMT 2023

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SUBSTANCE RECORD


					AXS9XA3UV7

Isopropyl 3-nitro-p-toluate