2-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfanyl]phenyl]carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfanyl]phenyl]carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfanyl]phenyl]carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]thio]anilino]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfanyl]phenyl]carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[[4-[[2-(carbomethoxyamino)-3H-benzimidazol-5-yl]thio]phenyl]carbamoyl]-3-nitro-benzoic acid Formula: C23H17N5O7S MolecularWeight: 507.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C23H17N5O7S/c1-35-23(32)27-22-25-16-10-9-14(11-17(16)26-22)36-13-7-5-12(6-8-13)24-20(29)19-15(21(30)31)3-2-4-18(19)28(33)34/h2-11H,1H3,(H,24,29)(H,30,31)(H2,25,26,27,32)