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

Systemtic Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-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] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H15N3O7 MolecularWeight: 373.3169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O7/c1-9(21)10-4-12(18-6-10)16(23)25-7-15(22)20-17(24)19-11-2-3-13-14(5-11)27-8-26-13/h2-6,18H,7-8H2,1H3,(H2,19,20,22,24)