6-nitro-N-[2-oxidanylidene-2-(propylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 6-nitro-N-[2-oxidanylidene-2-(propylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 6-nitro-N-[2-oxo-2-(propylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 6-nitro-N-[2-oxo-2-(propylamino)ethyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 6-nitro-N-[2-oxo-2-(propylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[2-keto-2-(propylamino)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C14H17N3O6 MolecularWeight: 323.30128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2

Isomeric SMILES

CCCNC(=O)CNC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2

InChI

InChI=1S/C14H17N3O6/c1-2-3-15-13(18)8-16-14(19)9-6-11-12(23-5-4-22-11)7-10(9)17(20)21/h6-7H,2-5,8H2,1H3,(H,15,18)(H,16,19)