1-diethoxyphosphanyl-2-[1-(2,4-dinitrophenyl)-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl]ethane-1,2-dione

Systemtic Name: 1-diethoxyphosphanyl-2-[1-(2,4-dinitrophenyl)-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl]ethane-1,2-dione Openeye Name: 1-diethoxyphosphanyl-2-[1-(2,4-dinitrophenyl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]ethane-1,2-dione CAS Name: 1-diethoxyphosphino-2-[1-(2,4-dinitrophenyl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]ethane-1,2-dione IUPAC Name: 1-diethoxyphosphanyl-2-[1-(2,4-dinitrophenyl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]ethane-1,2-dione Traditional Name: 1-diethoxyphosphino-2-[1-(2,4-dinitrophenyl)-5-keto-3-phenyl-2-pyrazolin-4-yl]ethane-1,2-dione Formula: C21H19N4O9P MolecularWeight: 502.370721

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(C(=O)C(=O)C1C(=NN(C1=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3)OCC

Isomeric SMILES

CCOP(C(=O)C(=O)C1C(=NN(C1=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3)OCC

InChI

InChI=1S/C21H19N4O9P/c1-3-33-35(34-4-2)21(28)19(26)17-18(13-8-6-5-7-9-13)22-23(20(17)27)15-11-10-14(24(29)30)12-16(15)25(31)32/h5-12,17H,3-4H2,1-2H3