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

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylamino)-5-methyl-benzoic acid Openeye Name: 2-(1,3-benzodioxole-5-carbonylamino)-5-methyl-benzoic acid CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-methylbenzoic acid IUPAC Name: 2-(1,3-benzodioxole-5-carbonylamino)-5-methylbenzoic acid Traditional Name: 5-methyl-2-(piperonyloylamino)benzoic acid Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C16H13NO5/c1-9-2-4-12(11(6-9)16(19)20)17-15(18)10-3-5-13-14(7-10)22-8-21-13/h2-7H,8H2,1H3,(H,17,18)(H,19,20)