4-[(3-chloranyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[(3-chloranyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one Openeye Name: 4-[(3-chloro-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one CAS Name: 4-[(3-chloro-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-[(3-chloro-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one Traditional Name: 4-[(3-chloro-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(3,4-dimethylphenyl)-5-methyl-3-pyrazolin-3-one Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C(NN(C2=O)C3=CC(=C(C=C3)C)C)C)C=C(C1=O)Cl

Isomeric SMILES

CCOC1=CC(=CC2=C(NN(C2=O)C3=CC(=C(C=C3)C)C)C)C=C(C1=O)Cl

InChI

InChI=1S/C21H21ClN2O3/c1-5-27-19-11-15(10-18(22)20(19)25)9-17-14(4)23-24(21(17)26)16-7-6-12(2)13(3)8-16/h6-11,23H,5H2,1-4H3