1-(1,3-benzodioxol-5-ylmethyl)pyrrole-2-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)pyrrole-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)pyrrole-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-pyrrolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)pyrrole-2-carboxylic acid Traditional Name: 1-piperonylpyrrole-2-carboxylic acid Formula: C13H11NO4 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C=CC=C3C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C=CC=C3C(=O)O

InChI

InChI=1S/C13H11NO4/c15-13(16)10-2-1-5-14(10)7-9-3-4-11-12(6-9)18-8-17-11/h1-6H,7-8H2,(H,15,16)