[(2S)-2-(3-fluorophenyl)-4,5-bis(oxidanylidene)-1-pyrimidin-2-yl-pyrrolidin-3-ylidene]-phenyl-methanolate

Systemtic Name: [(2S)-2-(3-fluorophenyl)-4,5-bis(oxidanylidene)-1-pyrimidin-2-yl-pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2S)-2-(3-fluorophenyl)-4,5-dioxo-1-pyrimidin-2-yl-pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2S)-2-(3-fluorophenyl)-4,5-dioxo-1-(2-pyrimidinyl)-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2S)-2-(3-fluorophenyl)-4,5-dioxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2S)-2-(3-fluorophenyl)-4,5-diketo-1-(2-pyrimidyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C21H13FN3O3- MolecularWeight: 374.344623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC=CC=N3)C4=CC(=CC=C4)F)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=C2[C@@H](N(C(=O)C2=O)C3=NC=CC=N3)C4=CC(=CC=C4)F)[O-]

InChI

InChI=1S/C21H14FN3O3/c22-15-9-4-8-14(12-15)17-16(18(26)13-6-2-1-3-7-13)19(27)20(28)25(17)21-23-10-5-11-24-21/h1-12,17,26H/p-1/t17-/m0/s1