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

Systemtic Name: 5-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxy-3-methylbenzoic acid Traditional Name: 2-hydroxy-3-methyl-5-(piperonyloylamino)benzoic acid Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO6/c1-8-4-10(6-11(14(8)18)16(20)21)17-15(19)9-2-3-12-13(5-9)23-7-22-12/h2-6,18H,7H2,1H3,(H,17,19)(H,20,21)