methyl 2-[(5R)-2-methyl-3-oxidanylidene-5-prop-1-en-2-yl-cyclohexyl]-2-nitro-ethanoate

Systemtic Name: methyl 2-[(5R)-2-methyl-3-oxidanylidene-5-prop-1-en-2-yl-cyclohexyl]-2-nitro-ethanoate Openeye Name: methyl 2-[(5R)-5-isopropenyl-2-methyl-3-oxo-cyclohexyl]-2-nitro-acetate CAS Name: 2-[(5R)-2-methyl-5-(1-methylethenyl)-3-oxocyclohexyl]-2-nitroacetic acid methyl ester IUPAC Name: methyl 2-[(5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexyl]-2-nitroacetate Traditional Name: 2-[(5R)-5-isopropenyl-3-keto-2-methyl-cyclohexyl]-2-nitro-acetic acid methyl ester Formula: C13H19NO5 MolecularWeight: 269.29366

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(CC1=O)C(=C)C)C(C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1C(C[C@H](CC1=O)C(=C)C)C(C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H19NO5/c1-7(2)9-5-10(8(3)11(15)6-9)12(14(17)18)13(16)19-4/h8-10,12H,1,5-6H2,2-4H3/t8?,9-,10?,12?/m1/s1