2,2-bis(fluoranyl)-5-(4-nitrophenyl)-3-oxidanyl-4-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 2,2-bis(fluoranyl)-5-(4-nitrophenyl)-3-oxidanyl-4-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 4-(benzyloxycarbonylamino)-2,2-difluoro-3-hydroxy-5-(4-nitrophenyl)pentanoic acid CAS Name: 2,2-difluoro-3-hydroxy-5-(4-nitrophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 2,2-difluoro-3-hydroxy-5-(4-nitrophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 4-(benzyloxycarbonylamino)-2,2-difluoro-3-hydroxy-5-(4-nitrophenyl)valeric acid Formula: C19H18F2N2O7 MolecularWeight: 424.352226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(C(C(=O)O)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(C(C(=O)O)(F)F)O

InChI

InChI=1S/C19H18F2N2O7/c20-19(21,17(25)26)16(24)15(10-12-6-8-14(9-7-12)23(28)29)22-18(27)30-11-13-4-2-1-3-5-13/h1-9,15-16,24H,10-11H2,(H,22,27)(H,25,26)