(4-nitrophenyl) N-[(3-iodanyl-4-oxidanyl-phenyl)methyl]-N-(phenylmethoxycarbonylamino)carbamate

Systemtic Name: (4-nitrophenyl) N-[(3-iodanyl-4-oxidanyl-phenyl)methyl]-N-(phenylmethoxycarbonylamino)carbamate Openeye Name: (4-nitrophenyl) N-(benzyloxycarbonylamino)-N-[(4-hydroxy-3-iodo-phenyl)methyl]carbamate CAS Name: N-[(4-hydroxy-3-iodophenyl)methyl]-N-(phenylmethoxycarbonylamino)carbamic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) N-[(4-hydroxy-3-iodophenyl)methyl]-N-(phenylmethoxycarbonylamino)carbamate Traditional Name: N-(benzyloxycarbonylamino)-N-(4-hydroxy-3-iodo-benzyl)carbamic acid (4-nitrophenyl) ester Formula: C22H18IN3O7 MolecularWeight: 563.29869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NN(CC2=CC(=C(C=C2)O)I)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NN(CC2=CC(=C(C=C2)O)I)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18IN3O7/c23-19-12-16(6-11-20(19)27)13-25(24-21(28)32-14-15-4-2-1-3-5-15)22(29)33-18-9-7-17(8-10-18)26(30)31/h1-12,27H,13-14H2,(H,24,28)