[2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C18H15ClN2O6 MolecularWeight: 390.7745

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C18H15ClN2O6/c1-20-18(24)21-16(22)14(10-5-3-2-4-6-10)27-17(23)11-7-12(19)15-13(8-11)25-9-26-15/h2-8,14H,9H2,1H3,(H2,20,21,22,24)