tert-butyl 2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-piperazine-1-carboxylate CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1,3-benzodioxol-5-ylmethyl)-3-oxopiperazine-1-carboxylate Traditional Name: 3-keto-2-piperonyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C17H22N2O5 MolecularWeight: 334.36698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC(=O)C1CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC(=O)C1CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H22N2O5/c1-17(2,3)24-16(21)19-7-6-18-15(20)12(19)8-11-4-5-13-14(9-11)23-10-22-13/h4-5,9,12H,6-8,10H2,1-3H3,(H,18,20)