4-[[1-(diphenylmethyl)-5-nitro-2,3-dihydroindol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[1-(diphenylmethyl)-5-nitro-2,3-dihydroindol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[(1-benzhydryl-5-nitro-indolin-3-yl)methyl]-3-methoxy-benzoic acid CAS Name: 4-[[1-(diphenylmethyl)-5-nitro-2,3-dihydroindol-3-yl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[(1-benzhydryl-5-nitro-2,3-dihydroindol-3-yl)methyl]-3-methoxybenzoic acid Traditional Name: 4-[(1-benzhydryl-5-nitro-indolin-3-yl)methyl]-3-methoxy-benzoic acid Formula: C30H26N2O5 MolecularWeight: 494.53784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CC2CN(C3=C2C=C(C=C3)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CC2CN(C3=C2C=C(C=C3)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H26N2O5/c1-37-28-17-23(30(33)34)13-12-22(28)16-24-19-31(27-15-14-25(32(35)36)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-18,24,29H,16,19H2,1H3,(H,33,34)