[2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-[(2-cyanobenzofuran-3-yl)amino]-2-oxo-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-[(2-cyano-3-benzofuranyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-[(2-cyanobenzofuran-3-yl)amino]-2-keto-ethyl] ester Formula: C25H20N4O4 MolecularWeight: 440.4507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCC(=O)NC3=C(OC4=CC=CC=C43)C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OCC(=O)NC3=C(OC4=CC=CC=C43)C#N

InChI

InChI=1S/C25H20N4O4/c1-16-19(17(2)29(28-16)18-8-4-3-5-9-18)12-13-24(31)32-15-23(30)27-25-20-10-6-7-11-21(20)33-22(25)14-26/h3-13H,15H2,1-2H3,(H,27,30)/b13-12+