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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=NN(C=C2)CC3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=NN(C=C2)CC3=CC=CC=C3C)[N+](=O)[O-]

InChI

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