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

Systemtic Name: [1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: [2-(3-chloro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid [2-(3-chloro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H16ClN3O3 MolecularWeight: 357.79094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CN3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CN3)Cl

InChI

InChI=1S/C18H16ClN3O3/c1-10-3-5-13(8-14(10)19)22-17(23)11(2)25-18(24)12-4-6-15-16(7-12)21-9-20-15/h3-9,11H,1-2H3,(H,20,21)(H,22,23)