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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O6S/c1-3-24-16(19)11-5-4-6-12(9-11)17-14-8-7-13(25(2,22)23)10-15(14)18(20)21/h4-10,17H,3H2,1-2H3