ethyl 5-[[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]amino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]amino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC=C(C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N/C=C(\C#N)/C(=O)OCC

InChI

InChI=1S/C18H18N4O4/c1-3-25-17(23)13(10-19)11-20-16-15(18(24)26-4-2)12-21-22(16)14-8-6-5-7-9-14/h5-9,11-12,20H,3-4H2,1-2H3/b13-11+