3-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoic acid

Systemtic Name: 3-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoic acid Openeye Name: 3-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoic acid CAS Name: 3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid IUPAC Name: 3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid Traditional Name: 3-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoic acid Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O6S/c1-9-5-6-12(8-13(9)16(19)20)23(21,22)15-11-4-2-3-10(7-11)14(17)18/h2-8,15H,1H3,(H,17,18)