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

Systemtic Name: [1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: [1-methyl-2-(2-naphthylamino)-2-oxo-ethyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid [1-(2-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(naphthalen-2-ylamino)-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-(2-naphthylamino)ethyl] ester Formula: C27H19F3N2O5S MolecularWeight: 540.51037

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)C3=CC=CC=C3SC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)C3=CC=CC=C3SC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C27H19F3N2O5S/c1-16(25(33)31-20-12-10-17-6-2-3-7-18(17)14-20)37-26(34)21-8-4-5-9-23(21)38-24-13-11-19(27(28,29)30)15-22(24)32(35)36/h2-16H,1H3,(H,31,33)