ethyl 2-[[4-(diethylamino)phenyl]carbonylamino]-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(diethylamino)phenyl]carbonylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(diethylamino)benzoyl]amino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[[4-(diethylamino)phenyl]-oxomethyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(diethylamino)benzoyl]amino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[[4-(diethylamino)benzoyl]amino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NC2=C(C=C(S2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NC2=C(C=C(S2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C18H21N3O5S/c1-4-20(5-2)13-9-7-12(8-10-13)16(22)19-17-14(18(23)26-6-3)11-15(27-17)21(24)25/h7-11H,4-6H2,1-3H3,(H,19,22)