[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CN3)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CN3)C(=O)C

InChI

InChI=1S/C17H16N2O6/c1-9(20)11-5-13(18-7-11)17(22)25-10(2)16(21)19-12-3-4-14-15(6-12)24-8-23-14/h3-7,10,18H,8H2,1-2H3,(H,19,21)