[1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate

Systemtic Name: [1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate Openeye Name: [1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-acetamidothiazole-4-carboxylate CAS Name: 2-acetamido-4-thiazolecarboxylic acid [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate Traditional Name: 2-acetamidothiazole-4-carboxylic acid [2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C16H13F3N4O6S MolecularWeight: 446.35783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)C2=CSC(=N2)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)C2=CSC(=N2)NC(=O)C

InChI

InChI=1S/C16H13F3N4O6S/c1-7(29-14(26)12-6-30-15(22-12)20-8(2)24)13(25)21-11-4-3-9(23(27)28)5-10(11)16(17,18)19/h3-7H,1-2H3,(H,21,25)(H,20,22,24)