methyl (3E)-2,5-dimethyl-5-nitro-2-oxidanyl-3-(phenylmethylidene)cyclohexane-1-carboxylate

Systemtic Name: methyl (3E)-2,5-dimethyl-5-nitro-2-oxidanyl-3-(phenylmethylidene)cyclohexane-1-carboxylate Openeye Name: methyl (3E)-3-benzylidene-2-hydroxy-2,5-dimethyl-5-nitro-cyclohexanecarboxylate CAS Name: (3E)-2-hydroxy-2,5-dimethyl-5-nitro-3-(phenylmethylene)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (3E)-3-benzylidene-2-hydroxy-2,5-dimethyl-5-nitrocyclohexane-1-carboxylate Traditional Name: (3E)-3-benzal-2-hydroxy-2,5-dimethyl-5-nitro-cyclohexanecarboxylic acid methyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(C(=CC2=CC=CC=C2)C1)(C)O)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1(CC(C(/C(=C/C2=CC=CC=C2)/C1)(C)O)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H21NO5/c1-16(18(21)22)10-13(9-12-7-5-4-6-8-12)17(2,20)14(11-16)15(19)23-3/h4-9,14,20H,10-11H2,1-3H3/b13-9+