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

Systemtic Name: 2-(3-bromophenyl)-5-methyl-4-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one Openeye Name: 2-(3-bromophenyl)-4-[(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-(3-bromophenyl)-4-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(3-bromophenyl)-4-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(3-bromophenyl)-4-[(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-pyrazolin-3-one Formula: C17H13BrN2O3 MolecularWeight: 373.20072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Br)C=C3C=CC(=O)C=C3O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Br)C=C3C=CC(=O)C=C3O

InChI

InChI=1S/C17H13BrN2O3/c1-10-15(7-11-5-6-14(21)9-16(11)22)17(23)20(19-10)13-4-2-3-12(18)8-13/h2-9,19,22H,1H3