1-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-methyl-4-nitro-N-[1-(p-tolylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide CAS Name: 1-methyl-N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-methyl-N-[1-(4-methylbenzyl)pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C

InChI

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