[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C18H18N2O7S/c1-3-28(25,26)15-10-5-4-8-13(15)18(22)27-11-16(21)19-17-12(2)7-6-9-14(17)20(23)24/h4-10H,3,11H2,1-2H3,(H,19,21)