methyl 2-azanyl-3-(6-bromanyl-1,3-benzodioxol-5-yl)propanoate

Systemtic Name: methyl 2-azanyl-3-(6-bromanyl-1,3-benzodioxol-5-yl)propanoate Openeye Name: methyl 2-amino-3-(6-bromo-1,3-benzodioxol-5-yl)propanoate CAS Name: 2-amino-3-(6-bromo-1,3-benzodioxol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-(6-bromo-1,3-benzodioxol-5-yl)propanoate Traditional Name: 2-amino-3-(6-bromo-1,3-benzodioxol-5-yl)propionic acid methyl ester Formula: C11H12BrNO4 MolecularWeight: 302.12128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(C=C1Br)OCO2)N

Isomeric SMILES

COC(=O)C(CC1=CC2=C(C=C1Br)OCO2)N

InChI

InChI=1S/C11H12BrNO4/c1-15-11(14)8(13)2-6-3-9-10(4-7(6)12)17-5-16-9/h3-4,8H,2,5,13H2,1H3