2-azanyl-2-(5-bromanyl-2-propoxy-phenyl)ethanoic acid; ethanedioic acid

Systemtic Name: 2-azanyl-2-(5-bromanyl-2-propoxy-phenyl)ethanoic acid; ethanedioic acid Openeye Name: 2-amino-2-(5-bromo-2-propoxy-phenyl)acetic acid; oxalic acid CAS Name: 2-amino-2-(5-bromo-2-propoxyphenyl)acetic acid; oxalic acid IUPAC Name: 2-amino-2-(5-bromo-2-propoxyphenyl)acetic acid; oxalic acid Traditional Name: 2-amino-2-(5-bromo-2-propoxy-phenyl)acetic acid; oxalic acid Formula: C13H16BrNO7 MolecularWeight: 378.17264

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(C(=O)O)N.C(=O)(C(=O)O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(C(=O)O)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H14BrNO3.C2H2O4/c1-2-5-16-9-4-3-7(12)6-8(9)10(13)11(14)15;3-1(4)2(5)6/h3-4,6,10H,2,5,13H2,1H3,(H,14,15);(H,3,4)(H,5,6)