methyl 5-bromanyl-2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]pentanoate

Systemtic Name: methyl 5-bromanyl-2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]pentanoate Openeye Name: methyl 5-bromo-2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]pentanoate CAS Name: 5-bromo-2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]pentanoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]pentanoate Traditional Name: 5-bromo-2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]valeric acid methyl ester Formula: C13H14BrNO7 MolecularWeight: 376.15676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCBr)OC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

COC(=O)C(CCCBr)OC1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C13H14BrNO7/c1-19-13(16)9(3-2-4-14)22-10-6-12-11(20-7-21-12)5-8(10)15(17)18/h5-6,9H,2-4,7H2,1H3