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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)CCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)CCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N7O3/c1-12-4-2-3-5-13(12)9-22-11-17-16(20-22)19-15(24)6-7-21-10-14(8-18-21)23(25)26/h2-5,8,10-11H,6-7,9H2,1H3,(H,19,20,24)