5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-nitro-phenolate Openeye Name: 5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-nitro-phenolate CAS Name: 5-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-nitrophenolate Traditional Name: 5-[methyl-[4-(trifluoromethyl)benzyl]carbamoyl]-2-nitro-phenolate Formula: C16H12F3N2O4- MolecularWeight: 353.27269

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(F)(F)F)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(F)(F)F)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H13F3N2O4/c1-20(9-10-2-5-12(6-3-10)16(17,18)19)15(23)11-4-7-13(21(24)25)14(22)8-11/h2-8,22H,9H2,1H3/p-1