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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-ethoxy-3-methoxy-benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C(C#N)C(=N)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)[C@H](C#N)C(=N)C)OC

InChI

InChI=1S/C16H18N2O5/c1-4-22-14-6-5-11(7-15(14)21-3)16(20)23-9-13(19)12(8-17)10(2)18/h5-7,12,18H,4,9H2,1-3H3/t12-/m1/s1