3-(4-bromophenyl)carbonyl-5-[ethoxy(oxidanyl)methylidene]-1H-pyrazol-4-one

Systemtic Name: 3-(4-bromophenyl)carbonyl-5-[ethoxy(oxidanyl)methylidene]-1H-pyrazol-4-one Openeye Name: 3-(4-bromobenzoyl)-5-[ethoxy(hydroxy)methylene]-1H-pyrazol-4-one CAS Name: 3-[(4-bromophenyl)-oxomethyl]-5-[ethoxy(hydroxy)methylidene]-1H-pyrazol-4-one IUPAC Name: 3-(4-bromobenzoyl)-5-[ethoxy(hydroxy)methylidene]-1H-pyrazol-4-one Traditional Name: 3-(4-bromobenzoyl)-5-[ethoxy(hydroxy)methylene]-2-pyrazolin-4-one Formula: C13H11BrN2O4 MolecularWeight: 339.14144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(=O)C(=NN1)C(=O)C2=CC=C(C=C2)Br)O

Isomeric SMILES

CCOC(=C1C(=O)C(=NN1)C(=O)C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C13H11BrN2O4/c1-2-20-13(19)10-12(18)9(15-16-10)11(17)7-3-5-8(14)6-4-7/h3-6,16,19H,2H2,1H3