[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C25H20N2O7 MolecularWeight: 460.4355

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)[N+](=O)[O-])OC

InChI

InChI=1S/C25H20N2O7/c1-32-21-12-17(20(27(30)31)13-22(21)33-2)25(29)34-24(15-8-4-3-5-9-15)23(28)18-14-26-19-11-7-6-10-16(18)19/h3-14,24,26H,1-2H3