[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(2,3-dimethylphenoxy)ethanoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(2,3-dimethylphenoxy)ethanoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 2-(2,3-dimethylphenoxy)acetate CAS Name: 2-(2,3-dimethylphenoxy)acetic acid [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] 2-(2,3-dimethylphenoxy)acetate Traditional Name: 2-(2,3-dimethylphenoxy)acetic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2C)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)OCC(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C#N)C

InChI

InChI=1S/C22H21N3O4/c1-14-7-6-10-20(15(14)2)28-13-21(27)29-12-19(26)16(11-23)22-24-17-8-4-5-9-18(17)25(22)3/h4-10,24H,12-13H2,1-3H3/b22-16+