6-[(4-chlorophenyl)amino]-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 6-[(4-chlorophenyl)amino]-1,3-benzodioxole-5-carboxylic acid Openeye Name: 6-(4-chloroanilino)-1,3-benzodioxole-5-carboxylic acid CAS Name: 6-(4-chloroanilino)-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 6-(4-chloroanilino)-1,3-benzodioxole-5-carboxylic acid Traditional Name: 6-(4-chloroanilino)-piperonylic acid Formula: C14H10ClNO4 MolecularWeight: 291.6865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H10ClNO4/c15-8-1-3-9(4-2-8)16-11-6-13-12(19-7-20-13)5-10(11)14(17)18/h1-6,16H,7H2,(H,17,18)