2-[3-(4-chloranyl-3-nitro-phenyl)sulfonyl-2-oxidanylidene-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-chloranyl-3-nitro-phenyl)sulfonyl-2-oxidanylidene-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-chloro-3-nitro-phenyl)sulfonyl-2-oxo-benzimidazol-1-yl]acetic acid CAS Name: 2-[3-(4-chloro-3-nitrophenyl)sulfonyl-2-oxo-1-benzimidazolyl]acetic acid IUPAC Name: 2-[3-(4-chloro-3-nitrophenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetic acid Traditional Name: 2-[3-(4-chloro-3-nitro-phenyl)sulfonyl-2-keto-benzimidazol-1-yl]acetic acid Formula: C15H10ClN3O7S MolecularWeight: 411.7738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)N2S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)N2S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C15H10ClN3O7S/c16-10-6-5-9(7-13(10)19(23)24)27(25,26)18-12-4-2-1-3-11(12)17(15(18)22)8-14(20)21/h1-7H,8H2,(H,20,21)