2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-[1-(m-tolylmethyl)pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]-3-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[1-(3-methylbenzyl)pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide Formula: C17H18N6O3 MolecularWeight: 354.36322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC(=N2)NC(=O)C3=C(C(=NN3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC(=N2)NC(=O)C3=C(C(=NN3C)C)[N+](=O)[O-]

InChI

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