4-chloranyl-2-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-chloro-2-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-chloro-2-[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C16H11ClN4O5S MolecularWeight: 406.80034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C16H11ClN4O5S/c17-8-1-3-10(15(23)24)12(5-8)18-14(22)7-27-16-19-11-4-2-9(21(25)26)6-13(11)20-16/h1-6H,7H2,(H,18,22)(H,19,20)(H,23,24)