1-[(3E)-5-methyl-5-nitro-2-oxidanyl-3-(phenylmethylidene)cyclohexen-1-yl]ethanone

Systemtic Name: 1-[(3E)-5-methyl-5-nitro-2-oxidanyl-3-(phenylmethylidene)cyclohexen-1-yl]ethanone Openeye Name: 1-[(3E)-3-benzylidene-2-hydroxy-5-methyl-5-nitro-cyclohexen-1-yl]ethanone CAS Name: 1-[(3E)-2-hydroxy-5-methyl-5-nitro-3-(phenylmethylene)-1-cyclohexenyl]ethanone IUPAC Name: 1-[(3E)-3-benzylidene-2-hydroxy-5-methyl-5-nitrocyclohexen-1-yl]ethanone Traditional Name: 1-[(3E)-3-benzal-2-hydroxy-5-methyl-5-nitro-cyclohexen-1-yl]ethanone Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=CC2=CC=CC=C2)CC(C1)(C)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)C1=C(/C(=C/C2=CC=CC=C2)/CC(C1)(C)[N+](=O)[O-])O

InChI

InChI=1S/C16H17NO4/c1-11(18)14-10-16(2,17(20)21)9-13(15(14)19)8-12-6-4-3-5-7-12/h3-8,19H,9-10H2,1-2H3/b13-8+