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

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(4-ethoxyanilino)-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-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-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-keto-2-(p-phenetidino)ethyl] ester Formula: C28H24BrN3O4 MolecularWeight: 546.41186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C28H24BrN3O4/c1-2-35-25-15-13-23(14-16-25)30-26(33)19-36-27(34)17-10-21-18-32(24-6-4-3-5-7-24)31-28(21)20-8-11-22(29)12-9-20/h3-18H,2,19H2,1H3,(H,30,33)