[2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-iodanylbenzoate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-iodanylbenzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C20H14IN3O2 MolecularWeight: 455.24853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)I)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)I)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C20H14IN3O2/c1-13-9-10-19(26-20(25)14-5-4-6-15(21)12-14)18(11-13)24-22-16-7-2-3-8-17(16)23-24/h2-12H,1H3