3-(6-methoxypyridin-3-yl)-4-nitro-cyclohexan-1-one

Systemtic Name: 3-(6-methoxypyridin-3-yl)-4-nitro-cyclohexan-1-one Openeye Name: 3-(6-methoxy-3-pyridyl)-4-nitro-cyclohexanone CAS Name: 3-(6-methoxy-3-pyridinyl)-4-nitro-1-cyclohexanone IUPAC Name: 3-(6-methoxypyridin-3-yl)-4-nitrocyclohexan-1-one Traditional Name: 3-(6-methoxy-3-pyridyl)-4-nitro-cyclohexanone Formula: C12H14N2O4 MolecularWeight: 250.25056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C2CC(=O)CCC2[N+](=O)[O-]

Isomeric SMILES

COC1=NC=C(C=C1)C2CC(=O)CCC2[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O4/c1-18-12-5-2-8(7-13-12)10-6-9(15)3-4-11(10)14(16)17/h2,5,7,10-11H,3-4,6H2,1H3