2-(2-hydroxyethyl)-5-methyl-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one

Systemtic Name: 2-(2-hydroxyethyl)-5-methyl-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one Openeye Name: 2-(2-hydroxyethyl)-5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one CAS Name: 2-(2-hydroxyethyl)-5-methyl-4-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1H-pyrazol-3-one IUPAC Name: 2-(2-hydroxyethyl)-5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one Traditional Name: 2-(2-hydroxyethyl)-4-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-pyrazolin-3-one Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)CCO)C=C2C=CC(=O)C=C2

Isomeric SMILES

CC1=C(C(=O)N(N1)CCO)C=C2C=CC(=O)C=C2

InChI

InChI=1S/C13H14N2O3/c1-9-12(13(18)15(14-9)6-7-16)8-10-2-4-11(17)5-3-10/h2-5,8,14,16H,6-7H2,1H3