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

Systemtic Name: (2S)-2-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]propanoic acid Openeye Name: (2S)-2-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]propanoic acid CAS Name: (2S)-2-[[2-(6-nitro-1,3-benzodioxol-5-yl)propoxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]propanoic acid Traditional Name: (2S)-2-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]propionic acid Formula: C14H16N2O8 MolecularWeight: 340.28544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)OCC(C)C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C14H16N2O8/c1-7(5-22-14(19)15-8(2)13(17)18)9-3-11-12(24-6-23-11)4-10(9)16(20)21/h3-4,7-8H,5-6H2,1-2H3,(H,15,19)(H,17,18)/t7?,8-/m0/s1