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

Systemtic Name: N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-[1-(m-tolylmethyl)-1,2,4-triazol-3-yl]-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-(3-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=C1)CN2C=NC(=N2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC(=N2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-]

InChI

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