(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C18H14N2O7S MolecularWeight: 402.37796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H14N2O7S/c21-13(14-7-3-9-28-14)6-2-8-27-15(22)10-19-17(23)11-4-1-5-12(20(25)26)16(11)18(19)24/h1,3-5,7,9H,2,6,8,10H2