methyl N-[3-[5-bromanyl-2-(cyanomethyl)-6-methoxy-3-nitro-phenyl]-2-iodanyl-propyl]carbamate

Systemtic Name: methyl N-[3-[5-bromanyl-2-(cyanomethyl)-6-methoxy-3-nitro-phenyl]-2-iodanyl-propyl]carbamate Openeye Name: methyl N-[3-[5-bromo-2-(cyanomethyl)-6-methoxy-3-nitro-phenyl]-2-iodo-propyl]carbamate CAS Name: N-[3-[5-bromo-2-(cyanomethyl)-6-methoxy-3-nitrophenyl]-2-iodopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-[5-bromo-2-(cyanomethyl)-6-methoxy-3-nitrophenyl]-2-iodopropyl]carbamate Traditional Name: N-[3-[5-bromo-2-(cyanomethyl)-6-methoxy-3-nitro-phenyl]-2-iodo-propyl]carbamic acid methyl ester Formula: C14H15BrIN3O5 MolecularWeight: 512.09447

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1CC(CNC(=O)OC)I)CC#N)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C(=C1CC(CNC(=O)OC)I)CC#N)[N+](=O)[O-])Br

InChI

InChI=1S/C14H15BrIN3O5/c1-23-13-10(5-8(16)7-18-14(20)24-2)9(3-4-17)12(19(21)22)6-11(13)15/h6,8H,3,5,7H2,1-2H3,(H,18,20)