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

Systemtic Name: (4Z)-2-(3-bromophenyl)-5-methyl-4-[[5-(3-nitrophenyl)furan-2-yl]methylidene]pyrazol-3-one Openeye Name: (4Z)-2-(3-bromophenyl)-5-methyl-4-[[5-(3-nitrophenyl)-2-furyl]methylene]pyrazol-3-one CAS Name: (4Z)-2-(3-bromophenyl)-5-methyl-4-[[5-(3-nitrophenyl)-2-furanyl]methylidene]-3-pyrazolone IUPAC Name: (4Z)-2-(3-bromophenyl)-5-methyl-4-[[5-(3-nitrophenyl)furan-2-yl]methylidene]pyrazol-3-one Traditional Name: (4Z)-2-(3-bromophenyl)-5-methyl-4-[[5-(3-nitrophenyl)-2-furyl]methylene]-2-pyrazolin-3-one Formula: C21H14BrN3O4 MolecularWeight: 452.25756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrN3O4/c1-13-19(21(26)24(23-13)16-6-3-5-15(22)11-16)12-18-8-9-20(29-18)14-4-2-7-17(10-14)25(27)28/h2-12H,1H3/b19-12-