[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[3-(diethylcarbamoyl)anilino]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[3-[diethylamino(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-[3-(diethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c1-3-20(4-2)17(23)12-6-5-7-13(10-12)19-15(22)11-27-18(24)14-8-9-16(28-14)21(25)26/h5-10H,3-4,11H2,1-2H3,(H,19,22)