[1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C21H21ClN2O6 MolecularWeight: 432.85424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C21H21ClN2O6/c1-13(30-21(26)14-10-17(22)19-18(11-14)28-12-29-19)20(25)23-15-2-4-16(5-3-15)24-6-8-27-9-7-24/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,25)