N-(5-bromanyl-2-oxidanyl-phenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide

Systemtic Name: N-(5-bromanyl-2-oxidanyl-phenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Openeye Name: N-(5-bromo-2-hydroxy-phenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide CAS Name: N-(5-bromo-2-hydroxyphenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide IUPAC Name: N-(5-bromo-2-hydroxyphenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Traditional Name: N-(5-bromo-2-hydroxy-phenyl)-4-(3-nitro-1,2,4-triazol-1-yl)butyramide Formula: C12H12BrN5O4 MolecularWeight: 370.15878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1Br)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])O

InChI

InChI=1S/C12H12BrN5O4/c13-8-3-4-10(19)9(6-8)15-11(20)2-1-5-17-7-14-12(16-17)18(21)22/h3-4,6-7,19H,1-2,5H2,(H,15,20)