N-(2,4-dimethylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2,4-dimethylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(2,4-dimethylphenyl)-1-[(4-nitro-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2,4-dimethylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2)CN3C=C(C=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2)CN3C=C(C=N3)[N+](=O)[O-])C

InChI

InChI=1S/C16H16N6O3/c1-11-3-4-14(12(2)7-11)18-16(23)15-5-6-20(19-15)10-21-9-13(8-17-21)22(24)25/h3-9H,10H2,1-2H3,(H,18,23)