[(Z)-2-cyano-4-methyl-1-(4-nitropyridin-2-yl)-3-oxidanylidene-pent-1-enyl] ethanoate

Systemtic Name: [(Z)-2-cyano-4-methyl-1-(4-nitropyridin-2-yl)-3-oxidanylidene-pent-1-enyl] ethanoate Openeye Name: [(Z)-2-cyano-4-methyl-1-(4-nitro-2-pyridyl)-3-oxo-pent-1-enyl] acetate CAS Name: acetic acid [(Z)-2-cyano-4-methyl-1-(4-nitro-2-pyridinyl)-3-oxopent-1-enyl] ester IUPAC Name: [(Z)-2-cyano-4-methyl-1-(4-nitropyridin-2-yl)-3-oxopent-1-enyl] acetate Traditional Name: acetic acid [(Z)-2-cyano-3-keto-4-methyl-1-(4-nitro-2-pyridyl)pent-1-enyl] ester Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(=C(C1=NC=CC(=C1)[N+](=O)[O-])OC(=O)C)C#N

Isomeric SMILES

CC(C)C(=O)/C(=C(/C1=NC=CC(=C1)[N+](=O)[O-])\OC(=O)C)/C#N

InChI

InChI=1S/C14H13N3O5/c1-8(2)13(19)11(7-15)14(22-9(3)18)12-6-10(17(20)21)4-5-16-12/h4-6,8H,1-3H3/b14-11-