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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=C(C(=NN3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=C(C(=NN3C)C)[N+](=O)[O-]

InChI

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