[5,5-bis(diethoxyphosphoryl)-1,4-dihydropyrazol-3-yl]-(4-nitrophenyl)methanone

Systemtic Name: [5,5-bis(diethoxyphosphoryl)-1,4-dihydropyrazol-3-yl]-(4-nitrophenyl)methanone Openeye Name: [5,5-bis(diethoxyphosphoryl)-1,4-dihydropyrazol-3-yl]-(4-nitrophenyl)methanone CAS Name: [5,5-bis(diethoxyphosphoryl)-1,4-dihydropyrazol-3-yl]-(4-nitrophenyl)methanone IUPAC Name: [5,5-bis(diethoxyphosphoryl)-1,4-dihydropyrazol-3-yl]-(4-nitrophenyl)methanone Traditional Name: [5,5-bis(diethoxyphosphoryl)-2-pyrazolin-3-yl]-(4-nitrophenyl)methanone Formula: C18H27N3O9P2 MolecularWeight: 491.369202

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1(CC(=NN1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C1(CC(=NN1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C18H27N3O9P2/c1-5-27-31(25,28-6-2)18(32(26,29-7-3)30-8-4)13-16(19-20-18)17(22)14-9-11-15(12-10-14)21(23)24/h9-12,20H,5-8,13H2,1-4H3