5-[[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[(7-chloropiperonyloyl)amino]methyl]-2-methoxy-benzoic acid Formula: C17H14ClNO6 MolecularWeight: 363.74916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCO3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCO3)C(=O)O

InChI

InChI=1S/C17H14ClNO6/c1-23-13-3-2-9(4-11(13)17(21)22)7-19-16(20)10-5-12(18)15-14(6-10)24-8-25-15/h2-6H,7-8H2,1H3,(H,19,20)(H,21,22)