(2,6-dimethylphenyl) 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate

Systemtic Name: (2,6-dimethylphenyl) 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate Openeye Name: (2,6-dimethylphenyl) 2-(4-methylsulfonyl-2-nitro-anilino)acetate CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)acetic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 2-(4-methylsulfonyl-2-nitroanilino)acetate Traditional Name: 2-(4-mesyl-2-nitro-anilino)acetic acid (2,6-dimethylphenyl) ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-11-5-4-6-12(2)17(11)25-16(20)10-18-14-8-7-13(26(3,23)24)9-15(14)19(21)22/h4-9,18H,10H2,1-3H3