O1-ethyl O5-methyl 7-nitro-2H-isoindole-1,5-dicarboxylate

Systemtic Name: O1-ethyl O5-methyl 7-nitro-2H-isoindole-1,5-dicarboxylate Openeye Name: O1-ethyl O5-methyl 7-nitro-2H-isoindole-1,5-dicarboxylate CAS Name: 7-nitro-2H-isoindole-1,5-dicarboxylic acid O1-ethyl ester O5-methyl ester IUPAC Name: 1-O-ethyl 5-O-methyl 7-nitro-2H-isoindole-1,5-dicarboxylate Traditional Name: 7-nitro-2H-isoindole-1,5-dicarboxylic acid O1-ethyl ester O5-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)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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