5-methyl-1-[(3-nitrophenyl)methyl]-3-(2-oxidanylidene-1H-pyridin-3-yl)indole-2-carboxylic acid

Systemtic Name: 5-methyl-1-[(3-nitrophenyl)methyl]-3-(2-oxidanylidene-1H-pyridin-3-yl)indole-2-carboxylic acid Openeye Name: 5-methyl-1-[(3-nitrophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid CAS Name: 5-methyl-1-[(3-nitrophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-2-indolecarboxylic acid IUPAC Name: 5-methyl-1-[(3-nitrophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid Traditional Name: 3-(2-keto-1H-pyridin-3-yl)-5-methyl-1-(3-nitrobenzyl)indole-2-carboxylic acid Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C3=CC=CNC3=O)C(=O)O)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C3=CC=CNC3=O)C(=O)O)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5/c1-13-7-8-18-17(10-13)19(16-6-3-9-23-21(16)26)20(22(27)28)24(18)12-14-4-2-5-15(11-14)25(29)30/h2-11H,12H2,1H3,(H,23,26)(H,27,28)