methyl 3-azanyl-3-(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)propanoate

Systemtic Name: methyl 3-azanyl-3-(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)propanoate Openeye Name: methyl 3-amino-3-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanoate CAS Name: 3-amino-3-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanoic acid methyl ester IUPAC Name: methyl 3-amino-3-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanoate Traditional Name: 3-amino-3-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propionic acid methyl ester Formula: C12H14BrNO4 MolecularWeight: 316.14786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC2=C(C(=C1)Br)OCCO2)N

Isomeric SMILES

COC(=O)CC(C1=CC2=C(C(=C1)Br)OCCO2)N

InChI

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