[(1R,2R)-2-[[2,2-bis(chloranyl)-1-oxidanyl-ethyl]amino]-1-(4-nitrophenyl)-3-oxidanyl-propoxy]-[[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]methyl]phosphinic acid

Systemtic Name: [(1R,2R)-2-[[2,2-bis(chloranyl)-1-oxidanyl-ethyl]amino]-1-(4-nitrophenyl)-3-oxidanyl-propoxy]-[[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]methyl]phosphinic acid Openeye Name: [(1R,2R)-2-[(2,2-dichloro-1-hydroxy-ethyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phosphinic acid CAS Name: [(1R,2R)-2-[(2,2-dichloro-1-hydroxyethyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-[[4-[(2,2,2-trifluoro-1-oxoethyl)amino]phenyl]methyl]phosphinic acid IUPAC Name: [(1R,2R)-2-[(2,2-dichloro-1-hydroxyethyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phosphinic acid Traditional Name: [(1R,2R)-2-[(2,2-dichloro-1-hydroxy-ethyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-[4-[(2,2,2-trifluoroacetyl)amino]benzyl]phosphinic acid Formula: C20H21Cl2F3N3O8P MolecularWeight: 590.271011

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CP(=O)(O)OC(C2=CC=C(C=C2)[N+](=O)[O-])C(CO)NC(C(Cl)Cl)O)NC(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CP(=O)(O)O[C@H](C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CO)NC(C(Cl)Cl)O)NC(=O)C(F)(F)F

InChI

InChI=1S/C20H21Cl2F3N3O8P/c21-17(22)18(30)27-15(9-29)16(12-3-7-14(8-4-12)28(32)33)36-37(34,35)10-11-1-5-13(6-2-11)26-19(31)20(23,24)25/h1-8,15-18,27,29-30H,9-10H2,(H,26,31)(H,34,35)/t15-,16-,18?/m1/s1