[2-(benzotriazol-2-yl)-3-methyl-phenyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [2-(benzotriazol-2-yl)-3-methyl-phenyl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-(benzotriazol-2-yl)-3-methyl-phenyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [2-(2-benzotriazolyl)-3-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-3-methylphenyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-(benzotriazol-2-yl)-3-methyl-phenyl] ester Formula: C18H12BrN3O3 MolecularWeight: 398.21018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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