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Details

Stereochemistry ACHIRAL
Molecular Formula C19H13N3O4
Molecular Weight 347.3242
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 6-NITRO-1-PHENYL-9H-PYRIDO(3,4-B)INDOLE-3-CARBOXYLATE

SMILES

COC(=O)C1=NC(=C2NC3=CC=C(C=C3C2=C1)[N+]([O-])=O)C4=CC=CC=C4

InChI

InChIKey=ZMXLQKXOUIMRBC-UHFFFAOYSA-N
InChI=1S/C19H13N3O4/c1-26-19(23)16-10-14-13-9-12(22(24)25)7-8-15(13)20-18(14)17(21-16)11-5-3-2-4-6-11/h2-10,20H,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
METHYL 6-NITRO-1-PHENYL-9H-PYRIDO(3,4-B)INDOLE-3-CARBOXYLATE
Systematic Name English
6-NITRO-1-PHENYL-9H-PYRIDO(3,4-B)INDOLE-3-CARBOXYLIC ACID, METHYL ESTER
Preferred Name English
9H-PYRIDO(3,4-B)INDOLE-3-CARBOXYLIC ACID, 6-NITRO-1-PHENYL-, METHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
5488172
Created by admin on Mon Mar 31 21:57:11 GMT 2025 , Edited by admin on Mon Mar 31 21:57:11 GMT 2025
PRIMARY
CAS
81677-51-2
Created by admin on Mon Mar 31 21:57:11 GMT 2025 , Edited by admin on Mon Mar 31 21:57:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID00231236
Created by admin on Mon Mar 31 21:57:11 GMT 2025 , Edited by admin on Mon Mar 31 21:57:11 GMT 2025
PRIMARY
FDA UNII
9JGW67G6AD
Created by admin on Mon Mar 31 21:57:11 GMT 2025 , Edited by admin on Mon Mar 31 21:57:11 GMT 2025
PRIMARY
NIH
NCATS
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