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

Systemtic Name: [(2R)-2-(3-nitrophenyl)-4,5-bis(oxidanylidene)-1-pyrimidin-2-yl-pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2R)-2-(3-nitrophenyl)-4,5-dioxo-1-pyrimidin-2-yl-pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2R)-2-(3-nitrophenyl)-4,5-dioxo-1-(2-pyrimidinyl)-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2R)-2-(3-nitrophenyl)-4,5-dioxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2R)-4,5-diketo-2-(3-nitrophenyl)-1-(2-pyrimidyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C21H13N4O5- MolecularWeight: 401.35172

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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)[N+](=O)[O-])[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)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H14N4O5/c26-18(13-6-2-1-3-7-13)16-17(14-8-4-9-15(12-14)25(29)30)24(20(28)19(16)27)21-22-10-5-11-23-21/h1-12,17,26H/p-1/t17-/m1/s1