(4Z)-5-methyl-4-[(5-nitrofuran-2-yl)methylidene]-2-(2-phenylethanoyl)pyrazol-3-one

Systemtic Name: (4Z)-5-methyl-4-[(5-nitrofuran-2-yl)methylidene]-2-(2-phenylethanoyl)pyrazol-3-one Openeye Name: (4Z)-5-methyl-4-[(5-nitro-2-furyl)methylene]-2-(2-phenylacetyl)pyrazol-3-one CAS Name: (4Z)-5-methyl-4-[(5-nitro-2-furanyl)methylidene]-2-(1-oxo-2-phenylethyl)-3-pyrazolone IUPAC Name: (4Z)-5-methyl-4-[(5-nitrofuran-2-yl)methylidene]-2-(2-phenylacetyl)pyrazol-3-one Traditional Name: (4Z)-5-methyl-4-[(5-nitro-2-furyl)methylene]-2-(2-phenylacetyl)-2-pyrazolin-3-one Formula: C17H13N3O5 MolecularWeight: 339.30222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)[N+](=O)[O-])C(=O)CC3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)[N+](=O)[O-])C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H13N3O5/c1-11-14(10-13-7-8-16(25-13)20(23)24)17(22)19(18-11)15(21)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3/b14-10-