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

Systemtic Name: diethyl 3-methyl-5-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H19N3O9S MolecularWeight: 489.45526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O9S/c1-4-32-20(28)15-10(3)16(21(29)33-5-2)34-17(15)22-14(25)9-23-18(26)12-7-6-11(24(30)31)8-13(12)19(23)27/h6-8H,4-5,9H2,1-3H3,(H,22,25)