[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-iodanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-iodanylbenzoate Openeye Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C15H16IN3O3 MolecularWeight: 413.21031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)COC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)COC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C15H16IN3O3/c1-9-14(10(2)19(3)18-9)17-13(20)8-22-15(21)11-5-4-6-12(16)7-11/h4-7H,8H2,1-3H3,(H,17,20)