methyl 3-azanyl-3-(7-bromanyl-1,3-benzodioxol-5-yl)propanoate

Systemtic Name: methyl 3-azanyl-3-(7-bromanyl-1,3-benzodioxol-5-yl)propanoate Openeye Name: methyl 3-amino-3-(7-bromo-1,3-benzodioxol-5-yl)propanoate CAS Name: 3-amino-3-(7-bromo-1,3-benzodioxol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 3-amino-3-(7-bromo-1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-amino-3-(7-bromo-1,3-benzodioxol-5-yl)propionic acid methyl ester Formula: C11H12BrNO4 MolecularWeight: 302.12128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC2=C(C(=C1)Br)OCO2)N

Isomeric SMILES

COC(=O)CC(C1=CC2=C(C(=C1)Br)OCO2)N

InChI

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