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

Systemtic Name: [5,5-bis(diethoxyphosphoryl)-1,4-dihydropyrazol-3-yl]-(3-bromophenyl)methanone Openeye Name: [5,5-bis(diethoxyphosphoryl)-1,4-dihydropyrazol-3-yl]-(3-bromophenyl)methanone CAS Name: [5,5-bis(diethoxyphosphoryl)-1,4-dihydropyrazol-3-yl]-(3-bromophenyl)methanone IUPAC Name: [5,5-bis(diethoxyphosphoryl)-1,4-dihydropyrazol-3-yl]-(3-bromophenyl)methanone Traditional Name: [5,5-bis(diethoxyphosphoryl)-2-pyrazolin-3-yl]-(3-bromophenyl)methanone Formula: C18H27BrN2O7P2 MolecularWeight: 525.267702

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1(CC(=NN1)C(=O)C2=CC(=CC=C2)Br)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C1(CC(=NN1)C(=O)C2=CC(=CC=C2)Br)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C18H27BrN2O7P2/c1-5-25-29(23,26-6-2)18(30(24,27-7-3)28-8-4)13-16(20-21-18)17(22)14-10-9-11-15(19)12-14/h9-12,21H,5-8,13H2,1-4H3