4-azanyl-4-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)butanoic acid

Systemtic Name: 4-azanyl-4-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)butanoic acid Openeye Name: 4-amino-4-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)butanoic acid CAS Name: 4-amino-4-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)butanoic acid IUPAC Name: 4-amino-4-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)butanoic acid Traditional Name: 4-amino-4-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)butyric acid Formula: C12H14BrNO4 MolecularWeight: 316.14786

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)C(CCC(=O)O)N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)C(CCC(=O)O)N

InChI

InChI=1S/C12H14BrNO4/c13-8-6-11-10(17-3-4-18-11)5-7(8)9(14)1-2-12(15)16/h5-6,9H,1-4,14H2,(H,15,16)