4-[[(S)-diethoxyphosphoryl-(2-nitrophenyl)methyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[(S)-diethoxyphosphoryl-(2-nitrophenyl)methyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[(S)-diethoxyphosphoryl-(2-nitrophenyl)methyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[(S)-diethoxyphosphoryl-(2-nitrophenyl)methyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[(S)-diethoxyphosphoryl-(2-nitrophenyl)methyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[(S)-diethoxyphosphoryl-(2-nitrophenyl)methyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C22H27N4O6P MolecularWeight: 474.446741

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=CC=C1[N+](=O)[O-])NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)OCC

Isomeric SMILES

CCOP(=O)([C@@H](C1=CC=CC=C1[N+](=O)[O-])NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)OCC

InChI

InChI=1S/C22H27N4O6P/c1-5-31-33(30,32-6-2)21(18-14-10-11-15-19(18)26(28)29)23-20-16(3)24(4)25(22(20)27)17-12-8-7-9-13-17/h7-15,21,23H,5-6H2,1-4H3/t21-/m0/s1