2-(2,3-dimethylphenyl)-4-[(Z)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-propan-2-yl-1H-pyrazol-3-one

Systemtic Name: 2-(2,3-dimethylphenyl)-4-[(Z)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-propan-2-yl-1H-pyrazol-3-one Openeye Name: 2-(2,3-dimethylphenyl)-4-[(Z)-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-isopropyl-1H-pyrazol-3-one CAS Name: 2-(2,3-dimethylphenyl)-4-[(Z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-propan-2-yl-1H-pyrazol-3-one IUPAC Name: 2-(2,3-dimethylphenyl)-4-[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-propan-2-yl-1H-pyrazol-3-one Traditional Name: 2-(2,3-dimethylphenyl)-4-[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-5-isopropyl-3-pyrazolin-3-one Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C(=C(N2)C(C)C)C=C3C=CC(=O)C(=C3)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C(=C(N2)C(C)C)/C=C\3/C=CC(=O)C(=C3)O)C

InChI

InChI=1S/C21H22N2O3/c1-12(2)20-16(10-15-8-9-18(24)19(25)11-15)21(26)23(22-20)17-7-5-6-13(3)14(17)4/h5-12,22,25H,1-4H3/b15-10-