(3,3,5-trimethylcyclohexyl) (E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoate

Systemtic Name: (3,3,5-trimethylcyclohexyl) (E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoate Openeye Name: (3,3,5-trimethylcyclohexyl) (E)-5-(3-nitrophenyl)-3-oxo-pent-4-enoate CAS Name: (E)-5-(3-nitrophenyl)-3-oxo-4-pentenoic acid (3,3,5-trimethylcyclohexyl) ester IUPAC Name: (3,3,5-trimethylcyclohexyl) (E)-5-(3-nitrophenyl)-3-oxopent-4-enoate Traditional Name: (E)-3-keto-5-(3-nitrophenyl)pent-4-enoic acid (3,3,5-trimethylcyclohexyl) ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)OC(=O)CC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CC(CC(C1)(C)C)OC(=O)CC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H25NO5/c1-14-9-18(13-20(2,3)12-14)26-19(23)11-17(22)8-7-15-5-4-6-16(10-15)21(24)25/h4-8,10,14,18H,9,11-13H2,1-3H3/b8-7+