(3S,4S)-3-(4-methoxyphenyl)-4-nitro-5-pyridin-3-yl-cyclohexan-1-one

Systemtic Name: (3S,4S)-3-(4-methoxyphenyl)-4-nitro-5-pyridin-3-yl-cyclohexan-1-one Openeye Name: (3S,4S)-3-(4-methoxyphenyl)-4-nitro-5-(3-pyridyl)cyclohexanone CAS Name: (3S,4S)-3-(4-methoxyphenyl)-4-nitro-5-(3-pyridinyl)-1-cyclohexanone IUPAC Name: (3S,4S)-3-(4-methoxyphenyl)-4-nitro-5-pyridin-3-ylcyclohexan-1-one Traditional Name: (3S,4S)-3-(4-methoxyphenyl)-4-nitro-5-(3-pyridyl)cyclohexanone Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=O)CC(C2[N+](=O)[O-])C3=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CC(=O)CC([C@H]2[N+](=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C18H18N2O4/c1-24-15-6-4-12(5-7-15)16-9-14(21)10-17(18(16)20(22)23)13-3-2-8-19-11-13/h2-8,11,16-18H,9-10H2,1H3/t16-,17?,18-/m0/s1