(4E)-4-[[5-(4-bromanyl-2-nitro-phenyl)furan-2-yl]methylidene]-2-(4-bromophenyl)-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-4-[[5-(4-bromanyl-2-nitro-phenyl)furan-2-yl]methylidene]-2-(4-bromophenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-[[5-(4-bromo-2-nitro-phenyl)-2-furyl]methylene]-2-(4-bromophenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-[[5-(4-bromo-2-nitrophenyl)-2-furanyl]methylidene]-2-(4-bromophenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-[[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylidene]-2-(4-bromophenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-4-[[5-(4-bromo-2-nitro-phenyl)-2-furyl]methylene]-2-(4-bromophenyl)-5-methyl-2-pyrazolin-3-one Formula: C21H13Br2N3O4 MolecularWeight: 531.15362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=C(C=C(C=C3)Br)[N+](=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)C3=C(C=C(C=C3)Br)[N+](=O)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H13Br2N3O4/c1-12-18(21(27)25(24-12)15-5-2-13(22)3-6-15)11-16-7-9-20(30-16)17-8-4-14(23)10-19(17)26(28)29/h2-11H,1H3/b18-11+