[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxyphenyl)-2-propenoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-p-phenetylacrylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-3-22-14-7-4-13(5-8-14)6-9-17(21)23-11-16(20)15(10-18)12(2)19/h4-9,15,19H,3,11H2,1-2H3/b9-6+,19-12?/t15-/m1/s1