3-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(3-nitrophenyl)-4-oxidanyl-phenyl]pentanedioic acid

Systemtic Name: 3-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(3-nitrophenyl)-4-oxidanyl-phenyl]pentanedioic acid Openeye Name: 3-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]pentanedioic acid CAS Name: 3-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]pentanedioic acid IUPAC Name: 3-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]pentanedioic acid Traditional Name: 3-[3-(5-amidino-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]glutaric acid Formula: C26H22N4O7 MolecularWeight: 502.47548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=CC(=C2O)C3=CC4=C(N3)C=CC(=C4)C(=N)N)C(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=CC(=C2O)C3=CC4=C(N3)C=CC(=C4)C(=N)N)C(CC(=O)O)CC(=O)O

InChI

InChI=1S/C26H22N4O7/c27-26(28)14-4-5-21-17(6-14)10-22(29-21)20-9-15(16(11-23(31)32)12-24(33)34)8-19(25(20)35)13-2-1-3-18(7-13)30(36)37/h1-10,16,29,35H,11-12H2,(H3,27,28)(H,31,32)(H,33,34)