[(2R,3R)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-oxidanyl-propyl] (Z)-2-oxidanyl-3-oxidanylidene-5-phenyl-pent-4-enoate

Systemtic Name: [(2R,3R)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-oxidanyl-propyl] (Z)-2-oxidanyl-3-oxidanylidene-5-phenyl-pent-4-enoate Openeye Name: [(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] (Z)-2-hydroxy-3-oxo-5-phenyl-pent-4-enoate CAS Name: (Z)-2-hydroxy-3-oxo-5-phenyl-4-pentenoic acid [(2R,3R)-2-[(2,2-dichloro-1-oxoethyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester IUPAC Name: [(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] (Z)-2-hydroxy-3-oxo-5-phenylpent-4-enoate Traditional Name: (Z)-2-hydroxy-3-keto-5-phenyl-pent-4-enoic acid [(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester Formula: C22H20Cl2N2O8 MolecularWeight: 511.3088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)C(C(=O)OCC(C(C2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)C(Cl)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C\C(=O)C(C(=O)OC[C@H]([C@@H](C2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)C(Cl)Cl)O

InChI

InChI=1S/C22H20Cl2N2O8/c23-20(24)21(30)25-16(18(28)14-7-9-15(10-8-14)26(32)33)12-34-22(31)19(29)17(27)11-6-13-4-2-1-3-5-13/h1-11,16,18-20,28-29H,12H2,(H,25,30)/b11-6-/t16-,18-,19?/m1/s1