ethyl 4-[3-(1,3-benzodioxol-5-ylmethylimino)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethylimino)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethylimino)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-(1,3-benzodioxol-5-ylmethylimino)-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethylimino)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-(2,5-diketo-3-piperonylimino-pyrrolidino)benzoic acid ethyl ester Formula: C21H18N2O6 MolecularWeight: 394.37742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(=NCC3=CC4=C(C=C3)OCO4)C2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(=NCC3=CC4=C(C=C3)OCO4)C2=O

InChI

InChI=1S/C21H18N2O6/c1-2-27-21(26)14-4-6-15(7-5-14)23-19(24)10-16(20(23)25)22-11-13-3-8-17-18(9-13)29-12-28-17/h3-9H,2,10-12H2,1H3