ethyl (E)-3-[5-azanyl-2-(2-methylpropanoyl)-3-oxidanylidene-1H-pyrazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[5-azanyl-2-(2-methylpropanoyl)-3-oxidanylidene-1H-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[5-amino-2-(2-methylpropanoyl)-3-oxo-1H-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-amino-2-(2-methyl-1-oxopropyl)-3-oxo-1H-pyrazol-4-yl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[5-amino-2-(2-methylpropanoyl)-3-oxo-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-(3-amino-1-isobutyryl-5-keto-3-pyrazolin-4-yl)-2-cyano-acrylic acid ethyl ester Formula: C13H16N4O4 MolecularWeight: 292.29054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(NN(C1=O)C(=O)C(C)C)N)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(NN(C1=O)C(=O)C(C)C)N)/C#N

InChI

InChI=1S/C13H16N4O4/c1-4-21-13(20)8(6-14)5-9-10(15)16-17(12(9)19)11(18)7(2)3/h5,7,16H,4,15H2,1-3H3/b8-5+