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

Systemtic Name: N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-nitropyrazol-1-yl)propanamide Openeye Name: 2-(4-nitropyrazol-1-yl)-N-[1-(o-tolylmethyl)-1,2,4-triazol-3-yl]propanamide CAS Name: N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-(2-methylbenzyl)-1,2,4-triazol-3-yl]-2-(4-nitropyrazol-1-yl)propionamide Formula: C16H17N7O3 MolecularWeight: 355.35128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)C(C)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)C(C)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N7O3/c1-11-5-3-4-6-13(11)8-21-10-17-16(20-21)19-15(24)12(2)22-9-14(7-18-22)23(25)26/h3-7,9-10,12H,8H2,1-2H3,(H,19,20,24)