4-[(Z)-(2-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(3-methylphenyl)-1H-pyrazol-3-one

Systemtic Name: 4-[(Z)-(2-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(3-methylphenyl)-1H-pyrazol-3-one Openeye Name: 4-[(Z)-(2-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(m-tolyl)-1H-pyrazol-3-one CAS Name: 4-[(Z)-(2-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-2-(3-methylphenyl)-1H-pyrazol-3-one IUPAC Name: 4-[(Z)-(2-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(3-methylphenyl)-1H-pyrazol-3-one Traditional Name: 4-[(Z)-(2-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(m-tolyl)-3-pyrazolin-3-one Formula: C19H17BrN2O3 MolecularWeight: 401.25388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=C(N2)C)C=C3C=C(C(=O)C=C3Br)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=C(N2)C)/C=C\3/C=C(C(=O)C=C3Br)OC

InChI

InChI=1S/C19H17BrN2O3/c1-11-5-4-6-14(7-11)22-19(24)15(12(2)21-22)8-13-9-18(25-3)17(23)10-16(13)20/h4-10,21H,1-3H3/b13-8-