[2-(benzotriazol-2-yl)-4-methyl-phenyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C18H12BrN3O3 MolecularWeight: 398.21018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC=C(O2)Br)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC=C(O2)Br)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C18H12BrN3O3/c1-11-6-7-15(25-18(23)16-8-9-17(19)24-16)14(10-11)22-20-12-4-2-3-5-13(12)21-22/h2-10H,1H3