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

Systemtic Name: [2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2,2-diphenylethylamino)-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-(2,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,2-diphenylethylamino)-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-(2,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C24H20ClNO5 MolecularWeight: 437.8723

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC(=O)NCC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC(=O)NCC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H20ClNO5/c25-20-11-18(12-21-23(20)31-15-30-21)24(28)29-14-22(27)26-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,19H,13-15H2,(H,26,27)