N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-nitropyrazol-1-yl)ethanamide Openeye Name: 2-(4-nitropyrazol-1-yl)-N-[1-(o-tolylmethyl)-1,2,4-triazol-3-yl]acetamide CAS Name: N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-nitropyrazol-1-yl)acetamide Traditional Name: N-[1-(2-methylbenzyl)-1,2,4-triazol-3-yl]-2-(4-nitropyrazol-1-yl)acetamide Formula: C15H15N7O3 MolecularWeight: 341.3247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N7O3/c1-11-4-2-3-5-12(11)7-21-10-16-15(19-21)18-14(23)9-20-8-13(6-17-20)22(24)25/h2-6,8,10H,7,9H2,1H3,(H,18,19,23)