ethyl 2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: ethyl 2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: ethyl 2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[4-[(4-nitrophenyl)thio]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[4-[(4-nitrophenyl)thio]phenyl]isoindoline-5-carboxylic acid ethyl ester Formula: C23H16N2O6S MolecularWeight: 448.44794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H16N2O6S/c1-2-31-23(28)14-3-12-19-20(13-14)22(27)24(21(19)26)15-4-8-17(9-5-15)32-18-10-6-16(7-11-18)25(29)30/h3-13H,2H2,1H3