4-[2-[(diphenylmethyl)amino]-1-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[2-[(diphenylmethyl)amino]-1-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethyl]-3-methoxy-benzoic acid Openeye Name: 4-[2-(benzhydrylamino)-1-(5-nitro-1H-indol-3-yl)-2-oxo-ethyl]-3-methoxy-benzoic acid CAS Name: 4-[2-[(diphenylmethyl)amino]-1-(5-nitro-1H-indol-3-yl)-2-oxoethyl]-3-methoxybenzoic acid IUPAC Name: 4-[2-(benzhydrylamino)-1-(5-nitro-1H-indol-3-yl)-2-oxoethyl]-3-methoxybenzoic acid Traditional Name: 4-[2-(benzhydrylamino)-2-keto-1-(5-nitro-1H-indol-3-yl)ethyl]-3-methoxy-benzoic acid Formula: C31H25N3O6 MolecularWeight: 535.5467

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)C(C2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)C(C2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H25N3O6/c1-40-27-16-21(31(36)37)12-14-23(27)28(25-18-32-26-15-13-22(34(38)39)17-24(25)26)30(35)33-29(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-18,28-29,32H,1H3,(H,33,35)(H,36,37)