[2-(4-benzamidophenyl)-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(4-benzamidophenyl)-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(4-benzamidophenyl)-2-oxo-ethyl] (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propenoic acid [2-(4-benzamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-benzamidophenyl)-2-oxoethyl] (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid [2-(4-benzamidophenyl)-2-keto-ethyl] ester Formula: C23H20ClN3O4 MolecularWeight: 437.8756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)Cl)C

InChI

InChI=1S/C23H20ClN3O4/c1-15-19(22(24)27(2)26-15)12-13-21(29)31-14-20(28)16-8-10-18(11-9-16)25-23(30)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,25,30)/b13-12+