methyl 2-iodanyl-2-[3-[(triphenylmethyl)amino]-1,2-oxazol-5-yl]ethanoate

Systemtic Name: methyl 2-iodanyl-2-[3-[(triphenylmethyl)amino]-1,2-oxazol-5-yl]ethanoate Openeye Name: methyl 2-iodo-2-[3-(tritylamino)isoxazol-5-yl]acetate CAS Name: 2-iodo-2-[3-[(triphenylmethyl)amino]-5-isoxazolyl]acetic acid methyl ester IUPAC Name: methyl 2-iodo-2-[3-(tritylamino)-1,2-oxazol-5-yl]acetate Traditional Name: 2-iodo-2-[3-(tritylamino)isoxazol-5-yl]acetic acid methyl ester Formula: C25H21IN2O3 MolecularWeight: 524.35031

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC(=NO1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)I

Isomeric SMILES

COC(=O)C(C1=CC(=NO1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)I

InChI

InChI=1S/C25H21IN2O3/c1-30-24(29)23(26)21-17-22(28-31-21)27-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,23H,1H3,(H,27,28)