[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-ethylbenzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-ethylbenzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C15H16N2O3/c1-3-11-4-6-12(7-5-11)15(19)20-9-14(18)13(8-16)10(2)17/h4-7,13,17H,3,9H2,1-2H3/t13-/m0/s1