O4-[(3-cyanophenyl)methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[(3-cyanophenyl)methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[(3-cyanophenyl)methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[(3-cyanophenyl)methyl] ester O2-ethyl ester IUPAC Name: 4-O-[(3-cyanophenyl)methyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-(3-cyanobenzyl) ester O2-ethyl ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C18H18N2O4/c1-4-23-18(22)16-11(2)15(12(3)20-16)17(21)24-10-14-7-5-6-13(8-14)9-19/h5-8,20H,4,10H2,1-3H3