U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H7NO6
Molecular Weight 225.155
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-BENZODIOXOLE-5-CARBOXYLIC ACID, 6-NITRO-, METHYL ESTER

SMILES

COC(=O)C1=CC2=C(OCO2)C=C1[N+]([O-])=O

InChI

InChIKey=OYWDFLIPTKVKKY-UHFFFAOYSA-N
InChI=1S/C9H7NO6/c1-14-9(11)5-2-7-8(16-4-15-7)3-6(5)10(12)13/h2-3H,4H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-59448
Preferred Name English
1,3-BENZODIOXOLE-5-CARBOXYLIC ACID, 6-NITRO-, METHYL ESTER
Common Name English
METHYL 6-NITRO-1,3-BENZODIOXOLE-5-CARBOXYLATE
Systematic Name English
METHYL 3,4-METHYLENEDIOXY-6-NITROBENZOATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID3061055
Created by admin on Tue Apr 01 19:51:30 GMT 2025 , Edited by admin on Tue Apr 01 19:51:30 GMT 2025
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NSC
59448
Created by admin on Tue Apr 01 19:51:30 GMT 2025 , Edited by admin on Tue Apr 01 19:51:30 GMT 2025
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PUBCHEM
69758
Created by admin on Tue Apr 01 19:51:30 GMT 2025 , Edited by admin on Tue Apr 01 19:51:30 GMT 2025
PRIMARY
CAS
721-00-6
Created by admin on Tue Apr 01 19:51:30 GMT 2025 , Edited by admin on Tue Apr 01 19:51:30 GMT 2025
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FDA UNII
T8DH88F42W
Created by admin on Tue Apr 01 19:51:30 GMT 2025 , Edited by admin on Tue Apr 01 19:51:30 GMT 2025
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