N-(1,3-benzodioxol-5-yl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(3-nitro-1,2,4-triazol-1-yl)butyramide Formula: C13H13N5O5 MolecularWeight: 319.27282

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCCN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCCN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O5/c19-12(2-1-5-17-7-14-13(16-17)18(20)21)15-9-3-4-10-11(6-9)23-8-22-10/h3-4,6-7H,1-2,5,8H2,(H,15,19)