2-(5-azanyl-2-methyl-1,3-benzodioxol-2-yl)butanoate

Systemtic Name: 2-(5-azanyl-2-methyl-1,3-benzodioxol-2-yl)butanoate Openeye Name: 2-(5-amino-2-methyl-1,3-benzodioxol-2-yl)butanoate CAS Name: 2-(5-amino-2-methyl-1,3-benzodioxol-2-yl)butanoate IUPAC Name: 2-(5-amino-2-methyl-1,3-benzodioxol-2-yl)butanoate Traditional Name: 2-(5-amino-2-methyl-1,3-benzodioxol-2-yl)butyrate Formula: C12H14NO4- MolecularWeight: 236.24386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])C1(OC2=C(O1)C=C(C=C2)N)C

Isomeric SMILES

CCC(C(=O)[O-])C1(OC2=C(O1)C=C(C=C2)N)C

InChI

InChI=1S/C12H15NO4/c1-3-8(11(14)15)12(2)16-9-5-4-7(13)6-10(9)17-12/h4-6,8H,3,13H2,1-2H3,(H,14,15)/p-1