(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-2-propenoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)acrylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C22H16N4O3 MolecularWeight: 384.38744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C=CC2=NC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)/C=C/C2=NC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C22H16N4O3/c1-15-17(13-23)19(26(25-15)16-7-3-2-4-8-16)14-28-22(27)12-11-21-24-18-9-5-6-10-20(18)29-21/h2-12H,14H2,1H3/b12-11+