[1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [1-methyl-2-(N-methylanilino)-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [1-(N-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(N-methylanilino)-1-oxopropan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-keto-1-methyl-2-(N-methylanilino)ethyl] ester Formula: C18H16ClNO5 MolecularWeight: 361.77634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO5/c1-11(17(21)20(2)13-6-4-3-5-7-13)25-18(22)12-8-14(19)16-15(9-12)23-10-24-16/h3-9,11H,10H2,1-2H3