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

Systemtic Name: N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: 3-(3-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-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-(2-methylbenzyl)-1,2,4-triazol-3-yl]-3-(3-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)CCN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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