[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-2-propenoic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C)Cl

InChI

InChI=1S/C21H24ClN3O4/c1-4-5-12-25-21(22)18(14(2)24-25)10-11-20(28)29-13-19(27)16-6-8-17(9-7-16)23-15(3)26/h6-11H,4-5,12-13H2,1-3H3,(H,23,26)/b11-10+