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

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-bromanyl-4-methyl-benzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-bromo-4-methyl-benzoate CAS Name: 3-bromo-4-methylbenzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 3-bromo-4-methylbenzoate Traditional Name: 3-bromo-4-methyl-benzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C21H16BrN3O2 MolecularWeight: 422.27464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O2/c1-13-7-10-20(27-21(26)15-9-8-14(2)16(22)12-15)19(11-13)25-23-17-5-3-4-6-18(17)24-25/h3-12H,1-2H3