4-chloranyl-4-(3,4-dimethoxyphenyl)carbonyl-2,5-dimethyl-pyrazol-3-one

Systemtic Name: 4-chloranyl-4-(3,4-dimethoxyphenyl)carbonyl-2,5-dimethyl-pyrazol-3-one Openeye Name: 4-chloro-4-(3,4-dimethoxybenzoyl)-2,5-dimethyl-pyrazol-3-one CAS Name: 4-chloro-4-[(3,4-dimethoxyphenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolone IUPAC Name: 4-chloro-4-(3,4-dimethoxybenzoyl)-2,5-dimethylpyrazol-3-one Traditional Name: 4-chloro-2,5-dimethyl-4-veratroyl-2-pyrazolin-3-one Formula: C14H15ClN2O4 MolecularWeight: 310.7329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN2O4/c1-8-14(15,13(19)17(2)16-8)12(18)9-5-6-10(20-3)11(7-9)21-4/h5-7H,1-4H3