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

Systemtic Name: O4-ethyl O2-[(3-nitrophenyl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl O2-[(3-nitrophenyl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(3-nitrophenyl)methyl] ester IUPAC Name: 4-O-ethyl 2-O-[(3-nitrophenyl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-(3-nitrobenzyl) ester Formula: C17H18N2O6 MolecularWeight: 346.33462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N2O6/c1-4-24-16(20)14-10(2)15(18-11(14)3)17(21)25-9-12-6-5-7-13(8-12)19(22)23/h5-8,18H,4,9H2,1-3H3