[(1R)-1-cyanoethyl] (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [(1R)-1-cyanoethyl] (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [(1R)-1-cyanoethyl] (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-propenoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]acrylic acid [(1R)-1-cyanoethyl] ester Formula: C19H15N5O2 MolecularWeight: 345.3547

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C(=CC1=CN(N=C1C2=CC=CC=C2)CCC#N)C#N

Isomeric SMILES

C[C@H](C#N)OC(=O)/C(=C/C1=CN(N=C1C2=CC=CC=C2)CCC#N)/C#N

InChI

InChI=1S/C19H15N5O2/c1-14(11-21)26-19(25)16(12-22)10-17-13-24(9-5-8-20)23-18(17)15-6-3-2-4-7-15/h2-4,6-7,10,13-14H,5,9H2,1H3/b16-10+/t14-/m1/s1