O2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] ester O4-methyl ester IUPAC Name: 2-O-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] ester O4-methyl ester Formula: C19H20ClNO6 MolecularWeight: 393.8182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H20ClNO6/c1-10-15(18(22)24-3)11(2)21-16(10)19(23)27-9-12-7-13(20)17-14(8-12)25-5-4-6-26-17/h7-8,21H,4-6,9H2,1-3H3