2-(1H-benzimidazol-2-ylsulfanyl)-5-nitro-benzoic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-5-nitro-benzoic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-5-nitro-benzoic acid CAS Name: 2-(1H-benzimidazol-2-ylthio)-5-nitrobenzoic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-5-nitrobenzoic acid Traditional Name: 2-(1H-benzimidazol-2-ylthio)-5-nitro-benzoic acid Formula: C14H9N3O4S MolecularWeight: 315.30396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H9N3O4S/c18-13(19)9-7-8(17(20)21)5-6-12(9)22-14-15-10-3-1-2-4-11(10)16-14/h1-7H,(H,15,16)(H,18,19)