pentyl 4-[[(E)-2-cyano-3-(2-hydroxyethylamino)-3-oxidanylidene-prop-1-enyl]amino]benzoate

Systemtic Name: pentyl 4-[[(E)-2-cyano-3-(2-hydroxyethylamino)-3-oxidanylidene-prop-1-enyl]amino]benzoate Openeye Name: pentyl 4-[[(E)-2-cyano-3-(2-hydroxyethylamino)-3-oxo-prop-1-enyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(2-hydroxyethylamino)-3-oxoprop-1-enyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[(E)-2-cyano-3-(2-hydroxyethylamino)-3-oxoprop-1-enyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(2-hydroxyethylamino)-3-keto-prop-1-enyl]amino]benzoic acid amyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C(=O)NCCO

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)N/C=C(\C#N)/C(=O)NCCO

InChI

InChI=1S/C18H23N3O4/c1-2-3-4-11-25-18(24)14-5-7-16(8-6-14)21-13-15(12-19)17(23)20-9-10-22/h5-8,13,21-22H,2-4,9-11H2,1H3,(H,20,23)/b15-13+