[acetyloxy-[1-(phenylmethyl)pyrazol-4-yl]-$l^{3}-iodanyl] ethanoate

Systemtic Name: [acetyloxy-[1-(phenylmethyl)pyrazol-4-yl]-$l^{3}-iodanyl] ethanoate Openeye Name: [acetoxy-(1-benzylpyrazol-4-yl)-$l^{3}-iodanyl] acetate CAS Name: acetic acid [acetyloxy-[1-(phenylmethyl)-4-pyrazolyl]-$l^{3}-iodanyl] ester IUPAC Name: [acetyloxy-(1-benzylpyrazol-4-yl)-$l^{3}-iodanyl] acetate Traditional Name: acetic acid [acetoxy-(1-benzylpyrazol-4-yl)iodinanyl] ester Formula: C14H15IN2O4 MolecularWeight: 402.18437

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OI(C1=CN(N=C1)CC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC(=O)OI(C1=CN(N=C1)CC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C14H15IN2O4/c1-11(18)20-15(21-12(2)19)14-8-16-17(10-14)9-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3