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

Systemtic Name: 2-ethyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 2-ethyl-N-[1-(m-tolylmethyl)-1,2,4-triazol-3-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 2-ethyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 2-ethyl-N-[1-(3-methylbenzyl)-1,2,4-triazol-3-yl]-4-nitro-pyrazole-3-carboxamide Formula: C16H17N7O3 MolecularWeight: 355.35128

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NN(C=N2)CC3=CC=CC(=C3)C

Isomeric SMILES

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NN(C=N2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C16H17N7O3/c1-3-22-14(13(8-18-22)23(25)26)15(24)19-16-17-10-21(20-16)9-12-6-4-5-11(2)7-12/h4-8,10H,3,9H2,1-2H3,(H,19,20,24)