(4E)-2-(2,4-dimethylphenyl)-5-methyl-4-[(5-nitrofuran-2-yl)methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(2,4-dimethylphenyl)-5-methyl-4-[(5-nitrofuran-2-yl)methylidene]pyrazol-3-one Openeye Name: (4E)-2-(2,4-dimethylphenyl)-5-methyl-4-[(5-nitro-2-furyl)methylene]pyrazol-3-one CAS Name: (4E)-2-(2,4-dimethylphenyl)-5-methyl-4-[(5-nitro-2-furanyl)methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(2,4-dimethylphenyl)-5-methyl-4-[(5-nitrofuran-2-yl)methylidene]pyrazol-3-one Traditional Name: (4E)-2-(2,4-dimethylphenyl)-5-methyl-4-[(5-nitro-2-furyl)methylene]-2-pyrazolin-3-one Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=N2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/C(=N2)C)C

InChI

InChI=1S/C17H15N3O4/c1-10-4-6-15(11(2)8-10)19-17(21)14(12(3)18-19)9-13-5-7-16(24-13)20(22)23/h4-9H,1-3H3/b14-9+