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

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxo-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(piperonylamino)-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h3-10,22H,2,11-12H2,1H3