4-[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C17H13ClN2O2 MolecularWeight: 312.75032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C=C(C=CC3=O)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C=C(C=CC3=O)Cl

InChI

InChI=1S/C17H13ClN2O2/c1-11-15(10-12-9-13(18)7-8-16(12)21)17(22)20(19-11)14-5-3-2-4-6-14/h2-10,19H,1H3