methyl N-[(2S)-1-(5-iodanyl-2-nitro-4-oxidanyl-phenyl)-3-oxidanyl-propan-2-yl]carbamate

Systemtic Name: methyl N-[(2S)-1-(5-iodanyl-2-nitro-4-oxidanyl-phenyl)-3-oxidanyl-propan-2-yl]carbamate Openeye Name: methyl N-[(1S)-2-hydroxy-1-[(4-hydroxy-5-iodo-2-nitro-phenyl)methyl]ethyl]carbamate CAS Name: N-[(2S)-1-hydroxy-3-(4-hydroxy-5-iodo-2-nitrophenyl)propan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(2S)-1-hydroxy-3-(4-hydroxy-5-iodo-2-nitrophenyl)propan-2-yl]carbamate Traditional Name: N-[(1S)-2-hydroxy-1-(4-hydroxy-5-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=CC(=C(C=C1[N+](=O)[O-])O)I)CO

Isomeric SMILES

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

InChI

InChI=1S/C11H13IN2O6/c1-20-11(17)13-7(5-15)2-6-3-8(12)10(16)4-9(6)14(18)19/h3-4,7,15-16H,2,5H2,1H3,(H,13,17)/t7-/m0/s1