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

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(piperonylamino)pyrrolidino]benzoic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6/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/h3-9,16,22H,2,10-12H2,1H3