O4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester O2-ethyl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C20H22N2O7/c1-4-26-20(25)18-11(2)17(12(3)21-18)19(24)29-10-16(23)22-13-5-6-14-15(9-13)28-8-7-27-14/h5-6,9,21H,4,7-8,10H2,1-3H3,(H,22,23)