diethyl 3-methyl-5-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(4-nitro-1,3-dioxo-isoindolin-2-yl)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-(4-nitro-1,3-dioxo-2-isoindolyl)thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(4-nitro-1,3-dioxoisoindol-2-yl)thiophene-2,4-dicarboxylate Traditional Name: 5-(1,3-diketo-4-nitro-isoindolin-2-yl)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H16N2O8S MolecularWeight: 432.40394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O8S/c1-4-28-18(24)12-9(3)14(19(25)29-5-2)30-17(12)20-15(22)10-7-6-8-11(21(26)27)13(10)16(20)23/h6-8H,4-5H2,1-3H3