[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H19N3O5/c1-13-6-8-15(23(26)27)10-18(13)22-19(24)12-28-20(25)9-7-14-11-21-17-5-3-2-4-16(14)17/h2-6,8,10-11,21H,7,9,12H2,1H3,(H,22,24)