phenyl N'-(3-azido-4-iodanyl-phenyl)-N-cyano-carbamimidate

Systemtic Name: phenyl N'-(3-azido-4-iodanyl-phenyl)-N-cyano-carbamimidate Openeye Name: 3-(3-azido-4-iodo-phenyl)-1-cyano-2-phenyl-isourea CAS Name: N'-(3-azido-4-iodophenyl)-N-cyanocarbamimidic acid phenyl ester IUPAC Name: phenyl N'-(3-azido-4-iodophenyl)-N-cyanocarbamimidate Traditional Name: 3-(3-azido-4-iodo-phenyl)-1-cyano-2-phenyl-isourea Formula: C14H9IN6O MolecularWeight: 404.16533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=NC2=CC(=C(C=C2)I)N=[N+]=[N-])NC#N

Isomeric SMILES

C1=CC=C(C=C1)OC(=NC2=CC(=C(C=C2)I)N=[N+]=[N-])NC#N

InChI

InChI=1S/C14H9IN6O/c15-12-7-6-10(8-13(12)20-21-17)19-14(18-9-16)22-11-4-2-1-3-5-11/h1-8H,(H,18,19)