4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]butanoic acid

Systemtic Name: 4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]butanoic acid Openeye Name: 4-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]butanoic acid CAS Name: 4-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]butanoic acid Traditional Name: 4-[(7-chloropiperonyloyl)amino]butyric acid Formula: C12H12ClNO5 MolecularWeight: 285.68038

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)NCCCC(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)NCCCC(=O)O)Cl

InChI

InChI=1S/C12H12ClNO5/c13-8-4-7(5-9-11(8)19-6-18-9)12(17)14-3-1-2-10(15)16/h4-5H,1-3,6H2,(H,14,17)(H,15,16)