[2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 2-(4-methylphenoxy)ethanoate

Systemtic Name: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 2-(4-methylphenoxy)ethanoate Openeye Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] 2-(4-methylphenoxy)acetate CAS Name: 2-(4-methylphenoxy)acetic acid [2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-(4-methylphenoxy)acetate Traditional Name: 2-(4-methylphenoxy)acetic acid [3-keto-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C21H19NO6S MolecularWeight: 413.44366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)OC2=C(C(=O)CCC2)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)OC2=C(C(=O)CCC2)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H19NO6S/c1-14-9-11-15(12-10-14)27-13-20(24)28-18-7-4-6-17(23)21(18)29-19-8-3-2-5-16(19)22(25)26/h2-3,5,8-12H,4,6-7,13H2,1H3