[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)C

InChI

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