[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,3,4,5,6-pentamethylbenzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,3,4,5,6-pentamethylbenzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2,3,4,5,6-pentamethylbenzoate CAS Name: 2,3,4,5,6-pentamethylbenzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2,3,4,5,6-pentamethylbenzoate Traditional Name: 2,3,4,5,6-pentamethylbenzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)C(C#N)C(=N)C)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)[C@H](C#N)C(=N)C)C)C

InChI

InChI=1S/C18H22N2O3/c1-9-10(2)12(4)17(13(5)11(9)3)18(22)23-8-16(21)15(7-19)14(6)20/h15,20H,8H2,1-6H3/t15-/m1/s1