3-[3,5-bis(fluoranyl)phenyl]-2-oxidanylidene-8-[(pyridin-2-ylmethylazaniumyl)methyl]chromen-7-olate

Systemtic Name: 3-[3,5-bis(fluoranyl)phenyl]-2-oxidanylidene-8-[(pyridin-2-ylmethylazaniumyl)methyl]chromen-7-olate Openeye Name: 3-(3,5-difluorophenyl)-2-oxo-8-[(2-pyridylmethylammonio)methyl]chromen-7-olate CAS Name: 3-(3,5-difluorophenyl)-2-oxo-8-[(2-pyridinylmethylammonio)methyl]-1-benzopyran-7-olate IUPAC Name: 3-(3,5-difluorophenyl)-2-oxo-8-[(pyridin-2-ylmethylazaniumyl)methyl]chromen-7-olate Traditional Name: 3-(3,5-difluorophenyl)-2-keto-8-[(2-pyridylmethylammonio)methyl]chromen-7-olate Formula: C22H16F2N2O3 MolecularWeight: 394.370846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C[NH2+]CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC(=CC(=C4)F)F)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C[NH2+]CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC(=CC(=C4)F)F)[O-]

InChI

InChI=1S/C22H16F2N2O3/c23-15-7-14(8-16(24)10-15)18-9-13-4-5-20(27)19(21(13)29-22(18)28)12-25-11-17-3-1-2-6-26-17/h1-10,25,27H,11-12H2