methyl 3-(1,3-benzodioxol-5-yl)-4-nitro-hexanoate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-yl)-4-nitro-hexanoate Openeye Name: methyl 3-(1,3-benzodioxol-5-yl)-4-nitro-hexanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-4-nitrohexanoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-yl)-4-nitrohexanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-hexanoic acid methyl ester Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(=O)OC)C1=CC2=C(C=C1)OCO2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(CC(=O)OC)C1=CC2=C(C=C1)OCO2)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO6/c1-3-11(15(17)18)10(7-14(16)19-2)9-4-5-12-13(6-9)21-8-20-12/h4-6,10-11H,3,7-8H2,1-2H3