[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(diethylamino)benzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(diethylamino)benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 4-(diethylamino)benzoate CAS Name: 4-(diethylamino)benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 4-(diethylamino)benzoate Traditional Name: 4-(diethylamino)benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C17H21N3O3/c1-4-20(5-2)14-8-6-13(7-9-14)17(22)23-11-16(21)15(10-18)12(3)19/h6-9,15,19H,4-5,11H2,1-3H3/t15-/m1/s1