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

Systemtic Name: (4Z)-2-(3-bromophenyl)-4-[[5-(4-methoxy-3-nitro-phenyl)furan-2-yl]methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4Z)-2-(3-bromophenyl)-4-[[5-(4-methoxy-3-nitro-phenyl)-2-furyl]methylene]-5-methyl-pyrazol-3-one CAS Name: (4Z)-2-(3-bromophenyl)-4-[[5-(4-methoxy-3-nitrophenyl)-2-furanyl]methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4Z)-2-(3-bromophenyl)-4-[[5-(4-methoxy-3-nitrophenyl)furan-2-yl]methylidene]-5-methylpyrazol-3-one Traditional Name: (4Z)-2-(3-bromophenyl)-4-[[5-(4-methoxy-3-nitro-phenyl)-2-furyl]methylene]-5-methyl-2-pyrazolin-3-one Formula: C22H16BrN3O5 MolecularWeight: 482.28354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrN3O5/c1-13-18(22(27)25(24-13)16-5-3-4-15(23)11-16)12-17-7-9-20(31-17)14-6-8-21(30-2)19(10-14)26(28)29/h3-12H,1-2H3/b18-12-