(E)-1-(6-methoxypyridin-3-yl)-6-nitro-hex-1-en-3-one

Systemtic Name: (E)-1-(6-methoxypyridin-3-yl)-6-nitro-hex-1-en-3-one Openeye Name: (E)-1-(6-methoxy-3-pyridyl)-6-nitro-hex-1-en-3-one CAS Name: (E)-1-(6-methoxy-3-pyridinyl)-6-nitro-1-hexen-3-one IUPAC Name: (E)-1-(6-methoxypyridin-3-yl)-6-nitrohex-1-en-3-one Traditional Name: (E)-1-(6-methoxy-3-pyridyl)-6-nitro-hex-1-en-3-one Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=NC=C(C=C1)/C=C/C(=O)CCC[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O4/c1-18-12-7-5-10(9-13-12)4-6-11(15)3-2-8-14(16)17/h4-7,9H,2-3,8H2,1H3/b6-4+