2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-5-(2-nitrophenyl)-4-oxidanyl-phenyl]butanedioic acid

Systemtic Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-5-(2-nitrophenyl)-4-oxidanyl-phenyl]butanedioic acid Openeye Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxy-5-(2-nitrophenyl)phenyl]butanedioic acid CAS Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxy-5-(2-nitrophenyl)phenyl]butanedioic acid IUPAC Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxy-5-(2-nitrophenyl)phenyl]butanedioic acid Traditional Name: 2-[3-(5-amidino-2H-benzimidazol-2-yl)-4-hydroxy-5-(2-nitrophenyl)phenyl]succinic acid Formula: C24H19N5O7 MolecularWeight: 489.43696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=CC(=C2O)C3N=C4C=CC(=CC4=N3)C(=N)N)C(CC(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=CC(=C2O)C3N=C4C=CC(=CC4=N3)C(=N)N)C(CC(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C24H19N5O7/c25-22(26)11-5-6-17-18(9-11)28-23(27-17)16-8-12(14(24(33)34)10-20(30)31)7-15(21(16)32)13-3-1-2-4-19(13)29(35)36/h1-9,14,23,32H,10H2,(H3,25,26)(H,30,31)(H,33,34)