[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(4-ethanoylphenoxy)butanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(4-ethanoylphenoxy)butanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-(4-acetylphenoxy)butanoate CAS Name: 4-(4-acetylphenoxy)butanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-(4-acetylphenoxy)butanoate Traditional Name: 4-(4-acetylphenoxy)butyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCCC(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C18H20N2O5/c1-12(20)16(10-19)17(22)11-25-18(23)4-3-9-24-15-7-5-14(6-8-15)13(2)21/h5-8H,3-4,9,11,20H2,1-2H3/b16-12+