methyl 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylamino]propanoate

Systemtic Name: methyl 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylamino]propanoate Openeye Name: methyl 3-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]propanoate CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]propanoate Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]propionic acid methyl ester Formula: C12H14BrNO4 MolecularWeight: 316.14786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNCC1=CC2=C(C=C1Br)OCO2

Isomeric SMILES

COC(=O)CCNCC1=CC2=C(C=C1Br)OCO2

InChI

InChI=1S/C12H14BrNO4/c1-16-12(15)2-3-14-6-8-4-10-11(5-9(8)13)18-7-17-10/h4-5,14H,2-3,6-7H2,1H3