2-[(3-methylphenyl)sulfonylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[(3-methylphenyl)sulfonylamino]-5-nitro-benzoic acid Openeye Name: 2-(m-tolylsulfonylamino)-5-nitro-benzoic acid CAS Name: 2-[(3-methylphenyl)sulfonylamino]-5-nitrobenzoic acid IUPAC Name: 2-[(3-methylphenyl)sulfonylamino]-5-nitrobenzoic acid Traditional Name: 2-(m-tolylsulfonylamino)-5-nitro-benzoic acid Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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