4-[(2,2-dimethyl-1,3-benzodioxol-5-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(2,2-dimethyl-1,3-benzodioxol-5-yl)carbonylamino]benzoic acid Openeye Name: 4-[(2,2-dimethyl-1,3-benzodioxole-5-carbonyl)amino]benzoic acid CAS Name: 4-[[(2,2-dimethyl-1,3-benzodioxol-5-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(2,2-dimethyl-1,3-benzodioxole-5-carbonyl)amino]benzoic acid Traditional Name: 4-[(2,2-dimethylpiperonyloyl)amino]benzoic acid Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C17H15NO5/c1-17(2)22-13-8-5-11(9-14(13)23-17)15(19)18-12-6-3-10(4-7-12)16(20)21/h3-9H,1-2H3,(H,18,19)(H,20,21)