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

Systemtic Name: diethyl 3-methyl-5-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[3-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H21N3O9S MolecularWeight: 503.48184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O9S/c1-4-33-21(29)15-11(3)17(22(30)34-5-2)35-18(15)23-14(26)9-10-24-19(27)12-7-6-8-13(25(31)32)16(12)20(24)28/h6-8H,4-5,9-10H2,1-3H3,(H,23,26)