(4E)-5-(2,5-dimethylpyrazol-3-yl)-4-[(3-nitrophenyl)methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-5-(2,5-dimethylpyrazol-3-yl)-4-[(3-nitrophenyl)methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-(2,5-dimethylpyrazol-3-yl)-4-[(3-nitrophenyl)methylene]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-(2,5-dimethyl-3-pyrazolyl)-4-[(3-nitrophenyl)methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-(2,5-dimethylpyrazol-3-yl)-4-[(3-nitrophenyl)methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-(2,5-dimethylpyrazol-3-yl)-4-(3-nitrobenzylidene)-2-phenyl-2-pyrazolin-3-one Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2=NN(C(=O)C2=CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C(=C1)C\2=NN(C(=O)/C2=C/C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C21H17N5O3/c1-14-11-19(24(2)22-14)20-18(13-15-7-6-10-17(12-15)26(28)29)21(27)25(23-20)16-8-4-3-5-9-16/h3-13H,1-2H3/b18-13+