7-methyl-2-oxidanylidene-4-[[[3-(trifluoromethyl)phenyl]azaniumyl]methyl]chromen-6-olate

Systemtic Name: 7-methyl-2-oxidanylidene-4-[[[3-(trifluoromethyl)phenyl]azaniumyl]methyl]chromen-6-olate Openeye Name: 7-methyl-2-oxo-4-[[[3-(trifluoromethyl)phenyl]ammonio]methyl]chromen-6-olate CAS Name: 7-methyl-2-oxo-4-[[[3-(trifluoromethyl)phenyl]ammonio]methyl]-1-benzopyran-6-olate IUPAC Name: 7-methyl-2-oxo-4-[[[3-(trifluoromethyl)phenyl]azaniumyl]methyl]chromen-6-olate Traditional Name: 2-keto-7-methyl-4-[[[3-(trifluoromethyl)phenyl]ammonio]methyl]chromen-6-olate Formula: C18H14F3NO3 MolecularWeight: 349.30387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C3=CC=CC(=C3)C(F)(F)F)[O-]

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C3=CC=CC(=C3)C(F)(F)F)[O-]

InChI

InChI=1S/C18H14F3NO3/c1-10-5-16-14(8-15(10)23)11(6-17(24)25-16)9-22-13-4-2-3-12(7-13)18(19,20)21/h2-8,22-23H,9H2,1H3