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

Systemtic Name: N-(3-chlorophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Openeye Name: N-(3-chlorophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide CAS Name: N-(3-chlorophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide IUPAC Name: N-(3-chlorophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Traditional Name: N-(3-chlorophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butyramide Formula: C12H12ClN5O3 MolecularWeight: 309.70838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN5O3/c13-9-3-1-4-10(7-9)15-11(19)5-2-6-17-8-14-12(16-17)18(20)21/h1,3-4,7-8H,2,5-6H2,(H,15,19)