(4-ethanoylphenyl) (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (4-ethanoylphenyl) (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate Openeye Name: (4-acetylphenyl) (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 (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (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 (4-acetylphenyl) ester Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)OC2=CC=C(C=C2)C(=O)C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)OC2=CC=C(C=C2)C(=O)C)Cl

InChI

InChI=1S/C19H21ClN2O3/c1-4-5-12-22-19(20)17(13(2)21-22)10-11-18(24)25-16-8-6-15(7-9-16)14(3)23/h6-11H,4-5,12H2,1-3H3/b11-10+