[2-oxidanylidene-2-[4-(5-phenyl-1,2,3-triazol-1-yl)phenyl]ethyl] 3-iodanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(5-phenyl-1,2,3-triazol-1-yl)phenyl]ethyl] 3-iodanylbenzoate Openeye Name: [2-oxo-2-[4-(5-phenyltriazol-1-yl)phenyl]ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-oxo-2-[4-(5-phenyl-1-triazolyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(5-phenyltriazol-1-yl)phenyl]ethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-2-[4-(5-phenyltriazol-1-yl)phenyl]ethyl] ester Formula: C23H16IN3O3 MolecularWeight: 509.29591

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)C(=O)COC(=O)C4=CC(=CC=C4)I

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)C(=O)COC(=O)C4=CC(=CC=C4)I

InChI

InChI=1S/C23H16IN3O3/c24-19-8-4-7-18(13-19)23(29)30-15-22(28)17-9-11-20(12-10-17)27-21(14-25-26-27)16-5-2-1-3-6-16/h1-14H,15H2