[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6S/c21-15(11-26-17(22)14-5-6-16(27-14)20(23)24)18-12-1-3-13(4-2-12)19-7-9-25-10-8-19/h1-6H,7-11H2,(H,18,21)