5-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]pentanoate

Systemtic Name: 5-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]pentanoate Openeye Name: 5-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]pentanoate CAS Name: 5-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]pentanoate IUPAC Name: 5-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]pentanoate Traditional Name: 5-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]valerate Formula: C13H15N2O6- MolecularWeight: 295.268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c16-13(17)3-1-2-4-14-9-7-11-12(21-6-5-20-11)8-10(9)15(18)19/h7-8,14H,1-6H2,(H,16,17)/p-1