[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C17H14ClNO7S MolecularWeight: 411.81356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO7S/c1-10-3-4-11(7-15(10)19(22)23)16(20)9-26-17(21)13-8-12(27(2,24)25)5-6-14(13)18/h3-8H,9H2,1-2H3