5-[(1,3-benzodioxol-5-ylcarbonylamino)methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[(1,3-benzodioxol-5-ylcarbonylamino)methyl]-2-methoxy-benzoic acid Openeye Name: 5-[(1,3-benzodioxole-5-carbonylamino)methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[(1,3-benzodioxole-5-carbonylamino)methyl]-2-methoxybenzoic acid Traditional Name: 2-methoxy-5-[(piperonyloylamino)methyl]benzoic acid Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO6/c1-22-13-4-2-10(6-12(13)17(20)21)8-18-16(19)11-3-5-14-15(7-11)24-9-23-14/h2-7H,8-9H2,1H3,(H,18,19)(H,20,21)