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

Systemtic Name: 3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanoate Openeye Name: 3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanoate CAS Name: 3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanoate IUPAC Name: 3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanoate Traditional Name: 3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propionate Formula: C11H11N2O6- MolecularWeight: 267.21484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O6/c14-11(15)1-2-12-7-5-9-10(19-4-3-18-9)6-8(7)13(16)17/h5-6,12H,1-4H2,(H,14,15)/p-1