O1-ethyl O5-methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-nitro-pentanedioate

Systemtic Name: O1-ethyl O5-methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-nitro-pentanedioate Openeye Name: O1-ethyl O5-methyl 4-(1,3-dioxoisoindolin-2-yl)-2-nitro-pentanedioate CAS Name: 4-(1,3-dioxo-2-isoindolyl)-2-nitropentanedioic acid O1-ethyl ester O5-methyl ester IUPAC Name: 1-O-ethyl 5-O-methyl 4-(1,3-dioxoisoindol-2-yl)-2-nitropentanedioate Traditional Name: 2-nitro-4-phthalimido-glutaric acid O1-ethyl ester O5-methyl ester Formula: C16H16N2O8 MolecularWeight: 364.30684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC(C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O8/c1-3-26-16(22)12(18(23)24)8-11(15(21)25-2)17-13(19)9-6-4-5-7-10(9)14(17)20/h4-7,11-12H,3,8H2,1-2H3