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

Systemtic Name: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [3-keto-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C20H16BrNO6S MolecularWeight: 478.31314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)SC2=CC=CC=C2[N+](=O)[O-])OC(=O)COC3=CC(=CC=C3)Br

Isomeric SMILES

C1CC(=C(C(=O)C1)SC2=CC=CC=C2[N+](=O)[O-])OC(=O)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H16BrNO6S/c21-13-5-3-6-14(11-13)27-12-19(24)28-17-9-4-8-16(23)20(17)29-18-10-2-1-7-15(18)22(25)26/h1-3,5-7,10-11H,4,8-9,12H2