dimethyl 5-azanyl-3-[[2-(diethylamino)-5-nitro-phenyl]carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[2-(diethylamino)-5-nitro-phenyl]carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[2-(diethylamino)-5-nitro-benzoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[2-(diethylamino)-5-nitrophenyl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[2-(diethylamino)-5-nitrobenzoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[2-(diethylamino)-5-nitro-benzoyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H23N3O8S MolecularWeight: 465.47692

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C20H23N3O8S/c1-5-22(6-2)14-8-7-11(23(27)28)9-12(14)18(24)31-10-13-15(19(25)29-3)17(21)32-16(13)20(26)30-4/h7-9H,5-6,10,21H2,1-4H3