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

Systemtic Name: [(2S)-2-(4-methylphenyl)-4,5-bis(oxidanylidene)-1-pyrimidin-2-yl-pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2S)-4,5-dioxo-2-(p-tolyl)-1-pyrimidin-2-yl-pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2S)-2-(4-methylphenyl)-4,5-dioxo-1-(2-pyrimidinyl)-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2S)-2-(4-methylphenyl)-4,5-dioxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2S)-4,5-diketo-2-(p-tolyl)-1-(2-pyrimidyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C22H16N3O3- MolecularWeight: 370.38074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)[O-])C(=O)C(=O)N2C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C(=C(C3=CC=CC=C3)[O-])C(=O)C(=O)N2C4=NC=CC=N4

InChI

InChI=1S/C22H17N3O3/c1-14-8-10-15(11-9-14)18-17(19(26)16-6-3-2-4-7-16)20(27)21(28)25(18)22-23-12-5-13-24-22/h2-13,18,26H,1H3/p-1/t18-/m0/s1