ethyl (E)-2-cyano-3-(5-oxidanylidene-3-phenyl-1,4-dihydropyrazol-4-yl)prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-(5-oxidanylidene-3-phenyl-1,4-dihydropyrazol-4-yl)prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(5-oxo-3-phenyl-1,4-dihydropyrazol-4-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(5-oxo-3-phenyl-1,4-dihydropyrazol-4-yl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(5-oxo-3-phenyl-1,4-dihydropyrazol-4-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-keto-5-phenyl-2-pyrazolin-4-yl)acrylic acid ethyl ester Formula: C15H13N3O3 MolecularWeight: 283.28202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1C(=NNC1=O)C2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1C(=NNC1=O)C2=CC=CC=C2)/C#N

InChI

InChI=1S/C15H13N3O3/c1-2-21-15(20)11(9-16)8-12-13(17-18-14(12)19)10-6-4-3-5-7-10/h3-8,12H,2H2,1H3,(H,18,19)/b11-8+