3-methyl-4-[[5-(4-methyl-2-nitro-phenyl)furan-2-yl]methylidene]-1H-pyrazol-5-one

Systemtic Name: 3-methyl-4-[[5-(4-methyl-2-nitro-phenyl)furan-2-yl]methylidene]-1H-pyrazol-5-one Openeye Name: 3-methyl-4-[[5-(4-methyl-2-nitro-phenyl)-2-furyl]methylene]-1H-pyrazol-5-one CAS Name: 3-methyl-4-[[5-(4-methyl-2-nitrophenyl)-2-furanyl]methylidene]-1H-pyrazol-5-one IUPAC Name: 3-methyl-4-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]-1H-pyrazol-5-one Traditional Name: 5-methyl-4-[[5-(4-methyl-2-nitro-phenyl)-2-furyl]methylene]-2-pyrazolin-3-one Formula: C16H13N3O4 MolecularWeight: 311.29212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C=C3C(=NNC3=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)C=C3C(=NNC3=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4/c1-9-3-5-12(14(7-9)19(21)22)15-6-4-11(23-15)8-13-10(2)17-18-16(13)20/h3-8H,1-2H3,(H,18,20)