4-[[4-chloranyl-3-[(3-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[4-chloranyl-3-[(3-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-chloro-3-[(3-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[4-chloro-3-[(3-nitroanilino)-oxomethyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[4-chloro-3-[(3-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-chloro-3-[(3-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid Formula: C20H14ClN3O7S MolecularWeight: 475.85906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C20H14ClN3O7S/c21-18-9-8-16(32(30,31)23-13-6-4-12(5-7-13)20(26)27)11-17(18)19(25)22-14-2-1-3-15(10-14)24(28)29/h1-11,23H,(H,22,25)(H,26,27)