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2-azanyl-3-(7-bromanyl-2,3-dimethoxy-quinoxalin-5-yl)propanoic acid

2-azanyl-3-(7-bromanyl-2,3-dimethoxy-quinoxalin-5-yl)propanoic acid

Systemtic Name:2-azanyl-3-(7-bromanyl-2,3-dimethoxy-quinoxalin-5-yl)propanoic acid
Openeye Name:2-amino-3-(7-bromo-2,3-dimethoxy-quinoxalin-5-yl)propanoic acid
CAS Name:2-amino-3-(7-bromo-2,3-dimethoxy-5-quinoxalinyl)propanoic acid
IUPAC Name:2-amino-3-(7-bromo-2,3-dimethoxyquinoxalin-5-yl)propanoic acid
Traditional Name:2-amino-3-(7-bromo-2,3-dimethoxy-quinoxalin-5-yl)propionic acid
Formula: C13H14BrN3O4
MolecularWeight: 356.17196
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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(C(=CC(=C2)Br)CC(C(=O)O)N)N=C1OC


Isomeric SMILES

COC1=NC2=C(C(=CC(=C2)Br)CC(C(=O)O)N)N=C1OC


InChI

InChI=1S/C13H14BrN3O4/c1-20-11-12(21-2)17-10-6(4-8(15)13(18)19)3-7(14)5-9(10)16-11/h3,5,8H,4,15H2,1-2H3,(H,18,19)


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