[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)COC(=O)C3=CC=CN3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)COC(=O)C3=CC=CN3

InChI

InChI=1S/C15H13N3O6/c19-13(7-22-14(20)10-2-1-5-16-10)18-15(21)17-9-3-4-11-12(6-9)24-8-23-11/h1-6,16H,7-8H2,(H2,17,18,19,21)