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

Systemtic Name: (4Z)-5-methyl-2-(2-methylphenyl)carbonyl-4-[(5-nitrofuran-2-yl)methylidene]pyrazol-3-one Openeye Name: (4Z)-5-methyl-2-(2-methylbenzoyl)-4-[(5-nitro-2-furyl)methylene]pyrazol-3-one CAS Name: (4Z)-5-methyl-2-[(2-methylphenyl)-oxomethyl]-4-[(5-nitro-2-furanyl)methylidene]-3-pyrazolone IUPAC Name: (4Z)-5-methyl-2-(2-methylbenzoyl)-4-[(5-nitrofuran-2-yl)methylidene]pyrazol-3-one Traditional Name: (4Z)-5-methyl-4-[(5-nitro-2-furyl)methylene]-2-o-toluoyl-2-pyrazolin-3-one Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=N2)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C(=O)/C(=C\C3=CC=C(O3)[N+](=O)[O-])/C(=N2)C

InChI

InChI=1S/C17H13N3O5/c1-10-5-3-4-6-13(10)16(21)19-17(22)14(11(2)18-19)9-12-7-8-15(25-12)20(23)24/h3-9H,1-2H3/b14-9-