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

Systemtic Name: ethyl (E)-3-[5-azanyl-3-oxidanylidene-2-(2-phenylethanoyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[5-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-amino-3-oxo-2-(1-oxo-2-phenylethyl)-1H-pyrazol-4-yl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[5-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-amino-5-keto-1-(2-phenylacetyl)-3-pyrazolin-4-yl]-2-cyano-acrylic acid ethyl ester Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(NN(C1=O)C(=O)CC2=CC=CC=C2)N)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(NN(C1=O)C(=O)CC2=CC=CC=C2)N)/C#N

InChI

InChI=1S/C17H16N4O4/c1-2-25-17(24)12(10-18)9-13-15(19)20-21(16(13)23)14(22)8-11-6-4-3-5-7-11/h3-7,9,20H,2,8,19H2,1H3/b12-9+