2-(7-chloranyl-1,3-benzodioxol-5-yl)-2-(propylamino)ethanoic acid

Systemtic Name: 2-(7-chloranyl-1,3-benzodioxol-5-yl)-2-(propylamino)ethanoic acid Openeye Name: 2-(7-chloro-1,3-benzodioxol-5-yl)-2-(propylamino)acetic acid CAS Name: 2-(7-chloro-1,3-benzodioxol-5-yl)-2-(propylamino)acetic acid IUPAC Name: 2-(7-chloro-1,3-benzodioxol-5-yl)-2-(propylamino)acetic acid Traditional Name: 2-(7-chloro-1,3-benzodioxol-5-yl)-2-(propylamino)acetic acid Formula: C12H14ClNO4 MolecularWeight: 271.69686

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C1=CC2=C(C(=C1)Cl)OCO2)C(=O)O

Isomeric SMILES

CCCNC(C1=CC2=C(C(=C1)Cl)OCO2)C(=O)O

InChI

InChI=1S/C12H14ClNO4/c1-2-3-14-10(12(15)16)7-4-8(13)11-9(5-7)17-6-18-11/h4-5,10,14H,2-3,6H2,1H3,(H,15,16)