[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S/c1-11(15(19)17-10-9-12-5-3-2-4-6-12)23-16(20)13-7-8-14(24-13)18(21)22/h2-8,11H,9-10H2,1H3,(H,17,19)