4-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butanoate

Systemtic Name: 4-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butanoate Openeye Name: 4-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butanoate CAS Name: 4-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butanoate IUPAC Name: 4-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butanoate Traditional Name: 4-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butyrate Formula: C12H13N2O6- MolecularWeight: 281.24142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NCCCC(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NCCCC(=O)[O-]

InChI

InChI=1S/C12H14N2O6/c15-12(16)2-1-3-13-8-6-10-11(20-5-4-19-10)7-9(8)14(17)18/h6-7,13H,1-5H2,(H,15,16)/p-1