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

Systemtic Name: N-(4-cyanophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Openeye Name: N-(4-cyanophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide CAS Name: N-(4-cyanophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide IUPAC Name: N-(4-cyanophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Traditional Name: N-(4-cyanophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butyramide Formula: C13H12N6O3 MolecularWeight: 300.27278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O3/c14-8-10-3-5-11(6-4-10)16-12(20)2-1-7-18-9-15-13(17-18)19(21)22/h3-6,9H,1-2,7H2,(H,16,20)