3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide

Systemtic Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide Openeye Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-(3-nitrophenyl)methyleneamino]benzamide CAS Name: 3-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide IUPAC Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide Traditional Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-(3-nitrobenzylidene)amino]benzamide Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H19N5O3/c1-14-9-15(2)24(23-14)13-17-6-3-7-18(10-17)20(26)22-21-12-16-5-4-8-19(11-16)25(27)28/h3-12H,13H2,1-2H3,(H,22,26)/b21-12+