[1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H13ClFN3O3 MolecularWeight: 361.754823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C17H13ClFN3O3/c1-9(16(23)22-11-3-4-13(19)12(18)7-11)25-17(24)10-2-5-14-15(6-10)21-8-20-14/h2-9H,1H3,(H,20,21)(H,22,23)