ethyl 2-cyano-3-[1-(3-ethoxy-3-oxidanylidene-propyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: ethyl 2-cyano-3-[1-(3-ethoxy-3-oxidanylidene-propyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl 2-cyano-3-[1-(3-ethoxy-3-oxo-propyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 2-cyano-3-[1-(3-ethoxy-3-oxopropyl)-3-phenyl-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[1-(3-ethoxy-3-oxopropyl)-3-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 2-cyano-3-[1-(3-ethoxy-3-keto-propyl)-3-phenyl-pyrazol-4-yl]acrylic acid ethyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C=C(C(=N1)C2=CC=CC=C2)C=C(C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCN1C=C(C(=N1)C2=CC=CC=C2)C=C(C#N)C(=O)OCC

InChI

InChI=1S/C20H21N3O4/c1-3-26-18(24)10-11-23-14-17(12-16(13-21)20(25)27-4-2)19(22-23)15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11H2,1-2H3