[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C18H17NO7S MolecularWeight: 391.39508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO7S/c1-13-7-8-14(11-16(13)19(22)23)17(20)12-26-18(21)9-10-27(24,25)15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3