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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-phenoxybenzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-phenoxybenzoate CAS Name: 2-phenoxybenzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-phenoxybenzoate Traditional Name: 2-phenoxybenzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1OC2=CC=CC=C2

Isomeric SMILES

CC(=N)[C@H](C#N)C(=O)COC(=O)C1=CC=CC=C1OC2=CC=CC=C2

InChI

InChI=1S/C19H16N2O4/c1-13(21)16(11-20)17(22)12-24-19(23)15-9-5-6-10-18(15)25-14-7-3-2-4-8-14/h2-10,16,21H,12H2,1H3/t16-/m0/s1