ethyl 4-cyano-3-methyl-5-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[3-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H16N4O7S MolecularWeight: 456.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C20H16N4O7S/c1-3-31-20(28)16-10(2)12(9-21)17(32-16)22-14(25)7-8-23-18(26)11-5-4-6-13(24(29)30)15(11)19(23)27/h4-6H,3,7-8H2,1-2H3,(H,22,25)