2-nitro-4-[(E)-3-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]carbamoyl]but-1-enyl]phenolate

Systemtic Name: 2-nitro-4-[(E)-3-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]carbamoyl]but-1-enyl]phenolate Openeye Name: 2-nitro-4-[(E)-3-oxo-2-[[2-(trifluoromethyl)phenyl]carbamoyl]but-1-enyl]phenolate CAS Name: 2-nitro-4-[(E)-3-oxo-2-[oxo-[2-(trifluoromethyl)anilino]methyl]but-1-enyl]phenolate IUPAC Name: 2-nitro-4-[(E)-3-oxo-2-[[2-(trifluoromethyl)phenyl]carbamoyl]but-1-enyl]phenolate Traditional Name: 4-[(E)-3-keto-2-[[2-(trifluoromethyl)phenyl]carbamoyl]but-1-enyl]-2-nitro-phenolate Formula: C18H12F3N2O5- MolecularWeight: 393.29349

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=C(C=C1)[O-])[N+](=O)[O-])C(=O)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=C(C=C1)[O-])[N+](=O)[O-])/C(=O)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H13F3N2O5/c1-10(24)12(8-11-6-7-16(25)15(9-11)23(27)28)17(26)22-14-5-3-2-4-13(14)18(19,20)21/h2-9,25H,1H3,(H,22,26)/p-1/b12-8+