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

Systemtic Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-5-(2-methoxy-5-nitro-phenyl)-4-oxidanyl-phenyl]butanedioic acid Openeye Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxy-5-(2-methoxy-5-nitro-phenyl)phenyl]butanedioic acid CAS Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxy-5-(2-methoxy-5-nitrophenyl)phenyl]butanedioic acid IUPAC Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxy-5-(2-methoxy-5-nitrophenyl)phenyl]butanedioic acid Traditional Name: 2-[3-(5-amidino-2H-benzimidazol-2-yl)-4-hydroxy-5-(2-methoxy-5-nitro-phenyl)phenyl]succinic acid Formula: C25H21N5O8 MolecularWeight: 519.46294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC(=CC(=C2O)C3N=C4C=CC(=CC4=N3)C(=N)N)C(CC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC(=CC(=C2O)C3N=C4C=CC(=CC4=N3)C(=N)N)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C25H21N5O8/c1-38-20-5-3-13(30(36)37)9-15(20)16-6-12(14(25(34)35)10-21(31)32)7-17(22(16)33)24-28-18-4-2-11(23(26)27)8-19(18)29-24/h2-9,14,24,33H,10H2,1H3,(H3,26,27)(H,31,32)(H,34,35)