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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=CC(=NN3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=CC(=NN3)[N+](=O)[O-])C

InChI

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