cyclohexyl 3-(4-methoxyphenyl)-4-nitro-butanoate

Systemtic Name: cyclohexyl 3-(4-methoxyphenyl)-4-nitro-butanoate Openeye Name: cyclohexyl 3-(4-methoxyphenyl)-4-nitro-butanoate CAS Name: 3-(4-methoxyphenyl)-4-nitrobutanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-(4-methoxyphenyl)-4-nitrobutanoate Traditional Name: 3-(4-methoxyphenyl)-4-nitro-butyric acid cyclohexyl ester Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)OC2CCCCC2)C[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)OC2CCCCC2)C[N+](=O)[O-]

InChI

InChI=1S/C17H23NO5/c1-22-15-9-7-13(8-10-15)14(12-18(20)21)11-17(19)23-16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-12H2,1H3