[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H19N3O6/c1-28-18-10-14(23(26)27)7-8-17(18)22-19(24)12-29-20(25)9-6-13-11-21-16-5-3-2-4-15(13)16/h2-5,7-8,10-11,21H,6,9,12H2,1H3,(H,22,24)