methyl N-[(2S)-1-(3-iodanyl-2-nitro-4-oxidanyl-phenyl)-3-oxidanyl-propan-2-yl]carbamate

Systemtic Name: methyl N-[(2S)-1-(3-iodanyl-2-nitro-4-oxidanyl-phenyl)-3-oxidanyl-propan-2-yl]carbamate Openeye Name: methyl N-[(1S)-2-hydroxy-1-[(4-hydroxy-3-iodo-2-nitro-phenyl)methyl]ethyl]carbamate CAS Name: N-[(2S)-1-hydroxy-3-(4-hydroxy-3-iodo-2-nitrophenyl)propan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(2S)-1-hydroxy-3-(4-hydroxy-3-iodo-2-nitrophenyl)propan-2-yl]carbamate Traditional Name: N-[(1S)-2-hydroxy-1-(4-hydroxy-3-iodo-2-nitro-benzyl)ethyl]carbamic acid methyl ester Formula: C11H13IN2O6 MolecularWeight: 396.13519

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(CC1=C(C(=C(C=C1)O)I)[N+](=O)[O-])CO

Isomeric SMILES

COC(=O)N[C@@H](CC1=C(C(=C(C=C1)O)I)[N+](=O)[O-])CO

InChI

InChI=1S/C11H13IN2O6/c1-20-11(17)13-7(5-15)4-6-2-3-8(16)9(12)10(6)14(18)19/h2-3,7,15-16H,4-5H2,1H3,(H,13,17)/t7-/m0/s1