1-(1,3-benzodioxol-5-ylmethyl)pyrrole-2-carboxylate

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)pyrrole-2-carboxylate Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)pyrrole-2-carboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-pyrrolecarboxylate IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)pyrrole-2-carboxylate Traditional Name: 1-piperonylpyrrole-2-carboxylate Formula: C13H10NO4- MolecularWeight: 244.2228

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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)/p-1