[2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[4-(methylcarbamoyl)anilino]-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-keto-2-[4-(methylcarbamoyl)anilino]ethyl] ester Formula: C18H15ClN2O6 MolecularWeight: 390.7745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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