ethyl (E)-3-cyano-2-oxidanyl-3-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: ethyl (E)-3-cyano-2-oxidanyl-3-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: ethyl (E)-3-cyano-2-hydroxy-3-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-cyano-2-hydroxy-3-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-cyano-2-hydroxy-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-cyano-2-hydroxy-3-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)acrylic acid ethyl ester Formula: C19H16N4O3 MolecularWeight: 348.35534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C#N)C1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3)O

Isomeric SMILES

CCOC(=O)/C(=C(\C#N)/C1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3)/O

InChI

InChI=1S/C19H16N4O3/c1-2-26-19(25)17(24)15(12-20)16-13-21-23(14-8-4-3-5-9-14)18(16)22-10-6-7-11-22/h3-11,13,24H,2H2,1H3/b17-15-