[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S/c1-11-8-9-13(28(3,25)26)10-14(11)18(22)27-12(2)17(21)19-15-6-4-5-7-16(15)20(23)24/h4-10,12H,1-3H3,(H,19,21)