[1-[(2-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate

Systemtic Name: [1-[(2-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Openeye Name: [2-(2-bromoanilino)-1-methyl-2-oxo-ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate CAS Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [1-(2-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-bromoanilino)-1-oxopropan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Traditional Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [2-(2-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3Br)C

Isomeric SMILES

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3Br)C

InChI

InChI=1S/C21H20BrN3O3/c1-12-13(2)24-19(23-12)15-8-10-16(11-9-15)21(27)28-14(3)20(26)25-18-7-5-4-6-17(18)22/h4-11,14H,1-3H3,(H,23,24)(H,25,26)