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

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C18H16ClNO5 MolecularWeight: 361.77634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C18H16ClNO5/c1-11-4-2-3-5-12(11)8-20-16(21)9-23-18(22)13-6-14(19)17-15(7-13)24-10-25-17/h2-7H,8-10H2,1H3,(H,20,21)