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

Systemtic Name: 2-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]ethanoic acid Openeye Name: 2-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]acetic acid CAS Name: 2-[[2-(6-nitro-1,3-benzodioxol-5-yl)propoxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]acetic acid Traditional Name: 2-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]acetic acid Formula: C13H14N2O8 MolecularWeight: 326.25886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O8/c1-7(5-21-13(18)14-4-12(16)17)8-2-10-11(23-6-22-10)3-9(8)15(19)20/h2-3,7H,4-6H2,1H3,(H,14,18)(H,16,17)