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

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6/c1-2-30-16-10-11-19(20(12-16)25(28)29)24-21(26)14-31-22(27)9-5-6-15-13-23-18-8-4-3-7-17(15)18/h3-4,7-8,10-13,23H,2,5-6,9,14H2,1H3,(H,24,26)