methyl (E)-8-(3,5-ditert-butyl-1-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)-7-nitro-oct-2-enoate

Systemtic Name: methyl (E)-8-(3,5-ditert-butyl-1-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)-7-nitro-oct-2-enoate Openeye Name: methyl (E)-8-(3,5-ditert-butyl-1-methyl-4-oxo-cyclohexa-2,5-dien-1-yl)-7-nitro-oct-2-enoate CAS Name: (E)-8-(3,5-ditert-butyl-1-methyl-4-oxo-1-cyclohexa-2,5-dienyl)-7-nitro-2-octenoic acid methyl ester IUPAC Name: methyl (E)-8-(3,5-ditert-butyl-1-methyl-4-oxocyclohexa-2,5-dien-1-yl)-7-nitrooct-2-enoate Traditional Name: (E)-8-(3,5-ditert-butyl-4-keto-1-methyl-cyclohexa-2,5-dien-1-yl)-7-nitro-oct-2-enoic acid methyl ester Formula: C24H37NO5 MolecularWeight: 419.55428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37NO5/c1-22(2,3)18-15-24(7,16-19(21(18)27)23(4,5)6)14-17(25(28)29)12-10-9-11-13-20(26)30-8/h11,13,15-17H,9-10,12,14H2,1-8H3/b13-11+