N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O3/c1-11-8-12(2)22(19-11)9-13-4-6-14(7-5-13)18-17(24)16-15(23(25)26)10-21(3)20-16/h4-8,10H,9H2,1-3H3,(H,18,24)