(4E)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: (4E)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[(5-methyl-2-furyl)methylene]-2-(4-nitrophenyl)pyrazol-3-one CAS Name: (4E)-5-methyl-4-[(5-methyl-2-furanyl)methylidene]-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: (4E)-5-methyl-4-[(5-methyl-2-furyl)methylene]-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(O1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H13N3O4/c1-10-3-8-14(23-10)9-15-11(2)17-18(16(15)20)12-4-6-13(7-5-12)19(21)22/h3-9H,1-2H3/b15-9+