[5-[3,4-bis(oxidanyl)pyrrolidin-1-yl]-4-iodanyl-2-nitro-phenyl]carbamic acid

Systemtic Name: [5-[3,4-bis(oxidanyl)pyrrolidin-1-yl]-4-iodanyl-2-nitro-phenyl]carbamic acid Openeye Name: [5-(3,4-dihydroxypyrrolidin-1-yl)-4-iodo-2-nitro-phenyl]carbamic acid CAS Name: [5-(3,4-dihydroxy-1-pyrrolidinyl)-4-iodo-2-nitrophenyl]carbamic acid IUPAC Name: [5-(3,4-dihydroxypyrrolidin-1-yl)-4-iodo-2-nitrophenyl]carbamic acid Traditional Name: [5-(3,4-dihydroxypyrrolidino)-4-iodo-2-nitro-phenyl]carbamic acid Formula: C11H12IN3O6 MolecularWeight: 409.13395

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1C2=CC(=C(C=C2I)[N+](=O)[O-])NC(=O)O)O)O

Isomeric SMILES

C1C(C(CN1C2=CC(=C(C=C2I)[N+](=O)[O-])NC(=O)O)O)O

InChI

InChI=1S/C11H12IN3O6/c12-5-1-8(15(20)21)6(13-11(18)19)2-7(5)14-3-9(16)10(17)4-14/h1-2,9-10,13,16-17H,3-4H2,(H,18,19)