[(E)-[4,4,5-trimethyl-2-(phenylcarbonyl)pyrazol-3-ylidene]methyl] ethanoate

Systemtic Name: [(E)-[4,4,5-trimethyl-2-(phenylcarbonyl)pyrazol-3-ylidene]methyl] ethanoate Openeye Name: [(E)-(2-benzoyl-4,4,5-trimethyl-pyrazol-3-ylidene)methyl] acetate CAS Name: acetic acid [(E)-(2-benzoyl-4,4,5-trimethyl-3-pyrazolylidene)methyl] ester IUPAC Name: [(E)-(2-benzoyl-4,4,5-trimethylpyrazol-3-ylidene)methyl] acetate Traditional Name: acetic acid [(E)-(2-benzoyl-4,4,5-trimethyl-2-pyrazolin-3-ylidene)methyl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=COC(=O)C)C1(C)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-11-16(3,4)14(10-21-12(2)19)18(17-11)15(20)13-8-6-5-7-9-13/h5-10H,1-4H3/b14-10+