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

Systemtic Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[3-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=CC=C2)NC(=O)C3=C(C=NN3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=CC=C2)NC(=O)C3=C(C=NN3)[N+](=O)[O-])C

InChI

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