3-(1,3-benzodioxol-5-ylcarbonylamino)-5-chloranyl-4-methoxy-benzoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonylamino)-5-chloranyl-4-methoxy-benzoic acid Openeye Name: 3-(1,3-benzodioxole-5-carbonylamino)-5-chloro-4-methoxy-benzoic acid CAS Name: 3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-chloro-4-methoxybenzoic acid IUPAC Name: 3-(1,3-benzodioxole-5-carbonylamino)-5-chloro-4-methoxybenzoic acid Traditional Name: 3-chloro-4-methoxy-5-(piperonyloylamino)benzoic acid Formula: C16H12ClNO6 MolecularWeight: 349.72258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H12ClNO6/c1-22-14-10(17)4-9(16(20)21)5-11(14)18-15(19)8-2-3-12-13(6-8)24-7-23-12/h2-6H,7H2,1H3,(H,18,19)(H,20,21)