methyl 3-methoxy-6-(2-nitro-1-phenyl-ethyl)-5-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 3-methoxy-6-(2-nitro-1-phenyl-ethyl)-5-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-methoxy-6-(2-nitro-1-phenyl-ethyl)-5-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 3-methoxy-6-(2-nitro-1-phenylethyl)-5-oxo-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-methoxy-6-(2-nitro-1-phenylethyl)-5-oxocyclohex-3-ene-1-carboxylate Traditional Name: 5-keto-3-methoxy-6-(2-nitro-1-phenyl-ethyl)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(C(C1)C(=O)OC)C(C[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

COC1=CC(=O)C(C(C1)C(=O)OC)C(C[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C17H19NO6/c1-23-12-8-13(17(20)24-2)16(15(19)9-12)14(10-18(21)22)11-6-4-3-5-7-11/h3-7,9,13-14,16H,8,10H2,1-2H3