[1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(2-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H13ClFNO5 MolecularWeight: 365.740223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H13ClFNO5/c1-9(16(21)20-13-4-3-11(19)7-12(13)18)25-17(22)10-2-5-14-15(6-10)24-8-23-14/h2-7,9H,8H2,1H3,(H,20,21)