2-[3-(5-carbamimidoyl-6-fluoranyl-2H-benzimidazol-2-yl)-5-(3-nitrophenyl)-4-oxidanyl-phenyl]butanedioic acid

Systemtic Name: 2-[3-(5-carbamimidoyl-6-fluoranyl-2H-benzimidazol-2-yl)-5-(3-nitrophenyl)-4-oxidanyl-phenyl]butanedioic acid Openeye Name: 2-[3-(5-carbamimidoyl-6-fluoro-2H-benzimidazol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]butanedioic acid CAS Name: 2-[3-(5-carbamimidoyl-6-fluoro-2H-benzimidazol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]butanedioic acid IUPAC Name: 2-[3-(5-carbamimidoyl-6-fluoro-2H-benzimidazol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]butanedioic acid Traditional Name: 2-[3-(5-amidino-6-fluoro-2H-benzimidazol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]succinic acid Formula: C24H18FN5O7 MolecularWeight: 507.427423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18FN5O7/c25-17-9-19-18(7-15(17)22(26)27)28-23(29-19)16-6-11(14(24(34)35)8-20(31)32)5-13(21(16)33)10-2-1-3-12(4-10)30(36)37/h1-7,9,14,23,33H,8H2,(H3,26,27)(H,31,32)(H,34,35)