2-[[1-[(diphenylmethyl)carbamoyl]-5-nitro-indol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 2-[[1-[(diphenylmethyl)carbamoyl]-5-nitro-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 2-[[1-(benzhydrylcarbamoyl)-5-nitro-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 2-[[1-[[(diphenylmethyl)amino]-oxomethyl]-5-nitro-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 2-[[1-(benzhydrylcarbamoyl)-5-nitroindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 2-[[1-(benzhydrylcarbamoyl)-5-nitro-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C31H25N3O6 MolecularWeight: 535.5467

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])C(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])C(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H25N3O6/c1-40-28-14-8-13-24(30(35)36)26(28)17-22-19-33(27-16-15-23(34(38)39)18-25(22)27)31(37)32-29(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-16,18-19,29H,17H2,1H3,(H,32,37)(H,35,36)