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

Systemtic Name: [(2S)-4,5-bis(oxidanylidene)-2-phenyl-1-pyrimidin-2-yl-pyrrolidin-3-ylidene]-(4-chlorophenyl)methanolate Openeye Name: (4-chlorophenyl)-[(2S)-4,5-dioxo-2-phenyl-1-pyrimidin-2-yl-pyrrolidin-3-ylidene]methanolate CAS Name: (4-chlorophenyl)-[(2S)-4,5-dioxo-2-phenyl-1-(2-pyrimidinyl)-3-pyrrolidinylidene]methanolate IUPAC Name: (4-chlorophenyl)-[(2S)-4,5-dioxo-2-phenyl-1-pyrimidin-2-ylpyrrolidin-3-ylidene]methanolate Traditional Name: (4-chlorophenyl)-[(2S)-4,5-diketo-2-phenyl-1-(2-pyrimidyl)pyrrolidin-3-ylidene]methanolate Formula: C21H13ClN3O3- MolecularWeight: 390.79922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClN3O3/c22-15-9-7-14(8-10-15)18(26)16-17(13-5-2-1-3-6-13)25(20(28)19(16)27)21-23-11-4-12-24-21/h1-12,17,26H/p-1/t17-/m0/s1