ethyl (Z)-2-cyano-3-[1-methyl-2-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)pyridin-1-ium-3-yl]prop-2-enoate

Systemtic Name: ethyl (Z)-2-cyano-3-[1-methyl-2-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)pyridin-1-ium-3-yl]prop-2-enoate Openeye Name: ethyl (Z)-2-cyano-3-[1-methyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)pyridin-1-ium-3-yl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[1-methyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-1-iumyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-3-[1-methyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)pyridin-1-ium-3-yl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[2-(3-keto-5-methyl-3-pyrazolin-4-yl)-1-methyl-pyridin-1-ium-3-yl]acrylic acid ethyl ester Formula: C16H17N4O3+ MolecularWeight: 313.33118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C([N+](=CC=C1)C)C2=C(NNC2=O)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C\C1=C([N+](=CC=C1)C)C2=C(NNC2=O)C)/C#N

InChI

InChI=1S/C16H16N4O3/c1-4-23-16(22)12(9-17)8-11-6-5-7-20(3)14(11)13-10(2)18-19-15(13)21/h5-8H,4H2,1-3H3,(H,19,21)/p+1/b12-8-