methyl 2-[(E)-2-cyano-3-oxidanylidene-3-[[(2R)-oxolan-2-yl]methylamino]prop-1-enyl]benzoate

Systemtic Name: methyl 2-[(E)-2-cyano-3-oxidanylidene-3-[[(2R)-oxolan-2-yl]methylamino]prop-1-enyl]benzoate Openeye Name: methyl 2-[(E)-2-cyano-3-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methylamino]prop-1-enyl]benzoate CAS Name: 2-[(E)-2-cyano-3-oxo-3-[[(2R)-2-oxolanyl]methylamino]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-2-cyano-3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]prop-1-enyl]benzoate Traditional Name: 2-[(E)-2-cyano-3-keto-3-[[(2R)-tetrahydrofuran-2-yl]methylamino]prop-1-enyl]benzoic acid methyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C=C(C#N)C(=O)NCC2CCCO2

Isomeric SMILES

COC(=O)C1=CC=CC=C1/C=C(\C#N)/C(=O)NC[C@H]2CCCO2

InChI

InChI=1S/C17H18N2O4/c1-22-17(21)15-7-3-2-5-12(15)9-13(10-18)16(20)19-11-14-6-4-8-23-14/h2-3,5,7,9,14H,4,6,8,11H2,1H3,(H,19,20)/b13-9+/t14-/m1/s1