[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3,4,5-triethoxybenzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3,4,5-triethoxybenzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H24N2O6 MolecularWeight: 376.40366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C19H24N2O6/c1-5-24-16-8-13(9-17(25-6-2)18(16)26-7-3)19(23)27-11-15(22)14(10-20)12(4)21/h8-9,14,21H,5-7,11H2,1-4H3/t14-/m1/s1