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

Systemtic Name: N-(4-bromophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Openeye Name: N-(4-bromophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide CAS Name: N-(4-bromophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide IUPAC Name: N-(4-bromophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Traditional Name: N-(4-bromophenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butyramide Formula: C12H12BrN5O3 MolecularWeight: 354.15938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H12BrN5O3/c13-9-3-5-10(6-4-9)15-11(19)2-1-7-17-8-14-12(16-17)18(20)21/h3-6,8H,1-2,7H2,(H,15,19)