methyl 2-[(7-bromanyl-1,3-benzodioxol-5-yl)methylamino]ethanoate

Systemtic Name: methyl 2-[(7-bromanyl-1,3-benzodioxol-5-yl)methylamino]ethanoate Openeye Name: methyl 2-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]acetate CAS Name: 2-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]acetate Traditional Name: 2-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]acetic acid methyl ester Formula: C11H12BrNO4 MolecularWeight: 302.12128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNCC1=CC2=C(C(=C1)Br)OCO2

Isomeric SMILES

COC(=O)CNCC1=CC2=C(C(=C1)Br)OCO2

InChI

InChI=1S/C11H12BrNO4/c1-15-10(14)5-13-4-7-2-8(12)11-9(3-7)16-6-17-11/h2-3,13H,4-6H2,1H3