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

Systemtic Name: methyl 5-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]thiophene-2-carboxylate Openeye Name: methyl 5-(5-nitro-1,3-dioxo-isoindolin-2-yl)thiophene-2-carboxylate CAS Name: 5-(5-nitro-1,3-dioxo-2-isoindolyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(5-nitro-1,3-dioxoisoindol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-diketo-5-nitro-isoindolin-2-yl)thiophene-2-carboxylic acid methyl ester Formula: C14H8N2O6S MolecularWeight: 332.28812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H8N2O6S/c1-22-14(19)10-4-5-11(23-10)15-12(17)8-3-2-7(16(20)21)6-9(8)13(15)18/h2-6H,1H3