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

Systemtic Name: methyl 4-methyl-3-[(4-methylsulfonyl-2-nitro-phenyl)amino]benzoate Openeye Name: methyl 4-methyl-3-(4-methylsulfonyl-2-nitro-anilino)benzoate CAS Name: 4-methyl-3-(4-methylsulfonyl-2-nitroanilino)benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(4-methylsulfonyl-2-nitroanilino)benzoate Traditional Name: 3-(4-mesyl-2-nitro-anilino)-4-methyl-benzoic acid methyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O6S/c1-10-4-5-11(16(19)24-2)8-14(10)17-13-7-6-12(25(3,22)23)9-15(13)18(20)21/h4-9,17H,1-3H3