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

Systemtic Name: (4Z)-4-[[5-(2-bromanyl-5-nitro-phenyl)furan-2-yl]methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one Openeye Name: (4Z)-4-[[5-(2-bromo-5-nitro-phenyl)-2-furyl]methylene]-5-methyl-2-(p-tolyl)pyrazol-3-one CAS Name: (4Z)-4-[[5-(2-bromo-5-nitrophenyl)-2-furanyl]methylidene]-5-methyl-2-(4-methylphenyl)-3-pyrazolone IUPAC Name: (4Z)-4-[[5-(2-bromo-5-nitrophenyl)furan-2-yl]methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one Traditional Name: (4Z)-4-[[5-(2-bromo-5-nitro-phenyl)-2-furyl]methylene]-5-methyl-2-(p-tolyl)-2-pyrazolin-3-one Formula: C22H16BrN3O4 MolecularWeight: 466.28414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)[N+](=O)[O-])Br)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=C(C=CC(=C4)[N+](=O)[O-])Br)/C(=N2)C

InChI

InChI=1S/C22H16BrN3O4/c1-13-3-5-15(6-4-13)25-22(27)18(14(2)24-25)12-17-8-10-21(30-17)19-11-16(26(28)29)7-9-20(19)23/h3-12H,1-2H3/b18-12-