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

Systemtic Name: (4Z)-5-methyl-4-[(5-nitrofuran-2-yl)methylidene]-2-(2-phenoxyethanoyl)pyrazol-3-one Openeye Name: (4Z)-5-methyl-4-[(5-nitro-2-furyl)methylene]-2-(2-phenoxyacetyl)pyrazol-3-one CAS Name: (4Z)-5-methyl-4-[(5-nitro-2-furanyl)methylidene]-2-(1-oxo-2-phenoxyethyl)-3-pyrazolone IUPAC Name: (4Z)-5-methyl-4-[(5-nitrofuran-2-yl)methylidene]-2-(2-phenoxyacetyl)pyrazol-3-one Traditional Name: (4Z)-5-methyl-4-[(5-nitro-2-furyl)methylene]-2-(2-phenoxyacetyl)-2-pyrazolin-3-one Formula: C17H13N3O6 MolecularWeight: 355.30162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)[N+](=O)[O-])C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)[N+](=O)[O-])C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C17H13N3O6/c1-11-14(9-13-7-8-16(26-13)20(23)24)17(22)19(18-11)15(21)10-25-12-5-3-2-4-6-12/h2-9H,10H2,1H3/b14-9-