[4-(4-azido-3-iodanyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl] methanoate

Systemtic Name: [4-(4-azido-3-iodanyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl] methanoate Openeye Name: [4-(4-azido-2-hydroxy-3-iodo-benzoyl)piperazin-1-yl] formate CAS Name: formic acid [4-[(4-azido-2-hydroxy-3-iodophenyl)-oxomethyl]-1-piperazinyl] ester IUPAC Name: [4-(4-azido-2-hydroxy-3-iodobenzoyl)piperazin-1-yl] formate Traditional Name: formic acid [4-(4-azido-2-hydroxy-3-iodo-benzoyl)piperazino] ester Formula: C12H12IN5O4 MolecularWeight: 417.15925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C(=C(C=C2)N=[N+]=[N-])I)O)OC=O

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C(=C(C=C2)N=[N+]=[N-])I)O)OC=O

InChI

InChI=1S/C12H12IN5O4/c13-10-9(15-16-14)2-1-8(11(10)20)12(21)17-3-5-18(6-4-17)22-7-19/h1-2,7,20H,3-6H2