5-methyl-4-[(E)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(phenylmethyl)-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-[(E)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(phenylmethyl)-1H-pyrazol-3-one Openeye Name: 2-benzyl-4-[(E)-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one CAS Name: 4-[(E)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-2-(phenylmethyl)-1H-pyrazol-3-one IUPAC Name: 2-benzyl-4-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-benzyl-4-[(E)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-pyrazolin-3-one Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)CC2=CC=CC=C2)C=C3C=CC(=O)C(=C3)O

Isomeric SMILES

CC1=C(C(=O)N(N1)CC2=CC=CC=C2)/C=C/3\C=CC(=O)C(=C3)O

InChI

InChI=1S/C18H16N2O3/c1-12-15(9-14-7-8-16(21)17(22)10-14)18(23)20(19-12)11-13-5-3-2-4-6-13/h2-10,19,22H,11H2,1H3/b14-9+