O1-ethyl O7-methyl 5-nitro-2H-isoindole-1,7-dicarboxylate

Systemtic Name: O1-ethyl O7-methyl 5-nitro-2H-isoindole-1,7-dicarboxylate Openeye Name: O1-ethyl O7-methyl 5-nitro-2H-isoindole-1,7-dicarboxylate CAS Name: 5-nitro-2H-isoindole-1,7-dicarboxylic acid O1-ethyl ester O7-methyl ester IUPAC Name: 1-O-ethyl 7-O-methyl 5-nitro-2H-isoindole-1,7-dicarboxylate Traditional Name: 5-nitro-2H-isoindole-1,7-dicarboxylic acid O1-ethyl ester O7-methyl ester Formula: C13H12N2O6 MolecularWeight: 292.24418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC(=CC2=CN1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C2C(=CC(=CC2=CN1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H12N2O6/c1-3-21-13(17)11-10-7(6-14-11)4-8(15(18)19)5-9(10)12(16)20-2/h4-6,14H,3H2,1-2H3