[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C15H18F3N3O5 MolecularWeight: 377.31573

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H18F3N3O5/c1-3-9(2)20-13(22)8-26-14(23)7-19-11-5-4-10(15(16,17)18)6-12(11)21(24)25/h4-6,9,19H,3,7-8H2,1-2H3,(H,20,22)/t9-/m0/s1