2-[(2-methyl-4-methylsulfonyl-phenyl)amino]-4-nitro-benzoic acid

Systemtic Name: 2-[(2-methyl-4-methylsulfonyl-phenyl)amino]-4-nitro-benzoic acid Openeye Name: 2-(2-methyl-4-methylsulfonyl-anilino)-4-nitro-benzoic acid CAS Name: 2-(2-methyl-4-methylsulfonylanilino)-4-nitrobenzoic acid IUPAC Name: 2-(2-methyl-4-methylsulfonylanilino)-4-nitrobenzoic acid Traditional Name: 2-(4-mesyl-2-methyl-anilino)-4-nitro-benzoic acid Formula: C15H14N2O6S MolecularWeight: 350.34646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O6S/c1-9-7-11(24(2,22)23)4-6-13(9)16-14-8-10(17(20)21)3-5-12(14)15(18)19/h3-8,16H,1-2H3,(H,18,19)