(4,5-dimethyl-1,2,4-triazol-3-yl)methyl 3-iodanylbenzoate

Systemtic Name: (4,5-dimethyl-1,2,4-triazol-3-yl)methyl 3-iodanylbenzoate Openeye Name: (4,5-dimethyl-1,2,4-triazol-3-yl)methyl 3-iodobenzoate CAS Name: 3-iodobenzoic acid (4,5-dimethyl-1,2,4-triazol-3-yl)methyl ester IUPAC Name: (4,5-dimethyl-1,2,4-triazol-3-yl)methyl 3-iodobenzoate Traditional Name: 3-iodobenzoic acid (4,5-dimethyl-1,2,4-triazol-3-yl)methyl ester Formula: C12H12IN3O2 MolecularWeight: 357.14705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)COC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CC1=NN=C(N1C)COC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C12H12IN3O2/c1-8-14-15-11(16(8)2)7-18-12(17)9-4-3-5-10(13)6-9/h3-6H,7H2,1-2H3