[1-[[2,3-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[[2,3-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-(2,3-dichloroanilino)-1-methyl-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-(2,3-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H16Cl2N4O3 MolecularWeight: 455.29344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=CC=C1)Cl)Cl)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C(=CC=C1)Cl)Cl)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C22H16Cl2N4O3/c1-12(21(29)28-17-6-2-5-15(23)19(17)24)31-22(30)13-7-8-16-18(10-13)27-20(26-16)14-4-3-9-25-11-14/h2-12H,1H3,(H,26,27)(H,28,29)