[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-methylpentanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-methylpentanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N

Isomeric SMILES

CC(C)CCC(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N

InChI

InChI=1S/C17H19N3O3/c1-11(2)7-8-16(22)23-10-15(21)12(9-18)17-19-13-5-3-4-6-14(13)20-17/h3-6,11,19-20H,7-8,10H2,1-2H3