4-methyl-3-[(4-methylsulfonyl-2-nitro-phenyl)amino]benzoate

Systemtic Name: 4-methyl-3-[(4-methylsulfonyl-2-nitro-phenyl)amino]benzoate Openeye Name: 4-methyl-3-(4-methylsulfonyl-2-nitro-anilino)benzoate CAS Name: 4-methyl-3-(4-methylsulfonyl-2-nitroanilino)benzoate IUPAC Name: 4-methyl-3-(4-methylsulfonyl-2-nitroanilino)benzoate Traditional Name: 3-(4-mesyl-2-nitro-anilino)-4-methyl-benzoate Formula: C15H13N2O6S- MolecularWeight: 349.33852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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