[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C29H20N4O4 MolecularWeight: 488.4935

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC(=O)OCC(=O)NC5=CC=CC=C5C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC(=O)OCC(=O)NC5=CC=CC=C5C#N

InChI

InChI=1S/C29H20N4O4/c30-17-21-9-4-6-12-24(21)31-27(34)19-36-28(35)15-14-22-18-33(23-10-2-1-3-11-23)32-29(22)26-16-20-8-5-7-13-25(20)37-26/h1-16,18H,19H2,(H,31,34)