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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-ethoxybenzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C15H16N2O4/c1-3-20-14-7-5-4-6-11(14)15(19)21-9-13(18)12(8-16)10(2)17/h4-7,12,17H,3,9H2,1-2H3/t12-/m1/s1