[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C18H14F3N3O6S MolecularWeight: 457.38047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(=O)N)OC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H14F3N3O6S/c1-9(15(25)23-17(22)27)30-16(26)11-4-2-3-5-13(11)31-14-7-6-10(18(19,20)21)8-12(14)24(28)29/h2-9H,1H3,(H3,22,23,25,27)