6-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]hexanoic acid

Systemtic Name: 6-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]hexanoic acid Openeye Name: 6-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]hexanoic acid CAS Name: 6-[[2-(6-nitro-1,3-benzodioxol-5-yl)propoxy-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]hexanoic acid Traditional Name: 6-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]hexanoic acid Formula: C17H22N2O8 MolecularWeight: 382.36518

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)NCCCCCC(=O)O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CC(COC(=O)NCCCCCC(=O)O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C17H22N2O8/c1-11(9-25-17(22)18-6-4-2-3-5-16(20)21)12-7-14-15(27-10-26-14)8-13(12)19(23)24/h7-8,11H,2-6,9-10H2,1H3,(H,18,22)(H,20,21)