3-[(2-carboxy-1H-indol-3-yl)-(5-methoxy-3-nitro-2-oxidanyl-phenyl)methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(2-carboxy-1H-indol-3-yl)-(5-methoxy-3-nitro-2-oxidanyl-phenyl)methyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[(2-carboxy-1H-indol-3-yl)-(2-hydroxy-5-methoxy-3-nitro-phenyl)methyl]-1H-indole-2-carboxylic acid CAS Name: 3-[(2-carboxy-1H-indol-3-yl)-(2-hydroxy-5-methoxy-3-nitrophenyl)methyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[(2-carboxy-1H-indol-3-yl)-(2-hydroxy-5-methoxy-3-nitrophenyl)methyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[(2-carboxy-1H-indol-3-yl)-(2-hydroxy-5-methoxy-3-nitro-phenyl)methyl]-1H-indole-2-carboxylic acid Formula: C26H19N3O8 MolecularWeight: 501.44436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(C2=C(NC3=CC=CC=C32)C(=O)O)C4=C(NC5=CC=CC=C54)C(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C(=C1)C(C2=C(NC3=CC=CC=C32)C(=O)O)C4=C(NC5=CC=CC=C54)C(=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C26H19N3O8/c1-37-12-10-15(24(30)18(11-12)29(35)36)19(20-13-6-2-4-8-16(13)27-22(20)25(31)32)21-14-7-3-5-9-17(14)28-23(21)26(33)34/h2-11,19,27-28,30H,1H3,(H,31,32)(H,33,34)