[1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] pyrrolidine-1-carbodithioate

Systemtic Name: [1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] pyrrolidine-1-carbodithioate Openeye Name: [1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C15H16F3N3O3S2 MolecularWeight: 407.43105

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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)SC(=S)N2CCCC2

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SC(=S)N2CCCC2

InChI

InChI=1S/C15H16F3N3O3S2/c1-9(26-14(25)20-6-2-3-7-20)13(22)19-12-5-4-10(21(23)24)8-11(12)15(16,17)18/h4-5,8-9H,2-3,6-7H2,1H3,(H,19,22)