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

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C27H19BrN4O3 MolecularWeight: 527.36876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C=CC(=O)OCC(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C=CC(=O)OCC(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C27H19BrN4O3/c28-22-13-10-19(11-14-22)27-21(17-32(31-27)23-7-2-1-3-8-23)12-15-26(34)35-18-25(33)30-24-9-5-4-6-20(24)16-29/h1-15,17H,18H2,(H,30,33)