1,5-dimethyl-3-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]indole-2-carboxylic acid

Systemtic Name: 1,5-dimethyl-3-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]indole-2-carboxylic acid Openeye Name: 1,5-dimethyl-3-[2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl]indole-2-carboxylic acid CAS Name: 1,5-dimethyl-3-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]-2-indolecarboxylic acid IUPAC Name: 1,5-dimethyl-3-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]indole-2-carboxylic acid Traditional Name: 3-[2-keto-2-(2-methyl-3-nitro-anilino)ethyl]-1,5-dimethyl-indole-2-carboxylic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2CC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2CC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C(=O)O)C

InChI

InChI=1S/C20H19N3O5/c1-11-7-8-17-13(9-11)14(19(20(25)26)22(17)3)10-18(24)21-15-5-4-6-16(12(15)2)23(27)28/h4-9H,10H2,1-3H3,(H,21,24)(H,25,26)