N-(4-methylphenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide

Systemtic Name: N-(4-methylphenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Openeye Name: 4-(3-nitro-1,2,4-triazol-1-yl)-N-(p-tolyl)butanamide CAS Name: N-(4-methylphenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide IUPAC Name: N-(4-methylphenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Traditional Name: 4-(3-nitro-1,2,4-triazol-1-yl)-N-(p-tolyl)butyramide Formula: C13H15N5O3 MolecularWeight: 289.2899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3/c1-10-4-6-11(7-5-10)15-12(19)3-2-8-17-9-14-13(16-17)18(20)21/h4-7,9H,2-3,8H2,1H3,(H,15,19)