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

Systemtic Name: [1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(4-acetamidophenyl)-1-methyl-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 [1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidophenyl)-1-oxopropan-2-yl] (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-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O4/c1-11-16(19(20)23(4)22-11)9-10-17(25)27-12(2)18(26)14-5-7-15(8-6-14)21-13(3)24/h5-10,12H,1-4H3,(H,21,24)/b10-9+