4-[2-(1,3-benzodioxol-5-yloxy)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yloxy)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoic acid CAS Name: 4-[[2-(1,3-benzodioxol-5-yloxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoic acid Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO6/c18-15(17-11-3-1-10(2-4-11)16(19)20)8-21-12-5-6-13-14(7-12)23-9-22-13/h1-7H,8-9H2,(H,17,18)(H,19,20)