(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-thiophen-2-ylbutanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-thiophen-2-ylbutanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H17NO6S MolecularWeight: 363.38498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO6S/c19-16(5-1-3-15-4-2-6-25-15)23-10-13-8-14(18(20)21)7-12-9-22-11-24-17(12)13/h2,4,6-8H,1,3,5,9-11H2