(2-chloranyl-4-cyano-phenyl) 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate Openeye Name: (2-chloro-4-cyano-phenyl) 3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoate CAS Name: 3-(3-methyl-2-oxo-1-benzimidazolyl)propanoic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-methyl-benzimidazol-1-yl)propionic acid (2-chloro-4-cyano-phenyl) ester Formula: C18H14ClN3O3 MolecularWeight: 355.77506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)OC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)OC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H14ClN3O3/c1-21-14-4-2-3-5-15(14)22(18(21)24)9-8-17(23)25-16-7-6-12(11-20)10-13(16)19/h2-7,10H,8-9H2,1H3