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

Systemtic Name: methyl 2-[(E)-2-cyano-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]benzoate Openeye Name: methyl 2-[(E)-2-cyano-3-oxo-3-pyrrolidin-1-yl-prop-1-enyl]benzoate CAS Name: 2-[(E)-2-cyano-3-oxo-3-(1-pyrrolidinyl)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-2-cyano-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]benzoate Traditional Name: 2-[(E)-2-cyano-3-keto-3-pyrrolidino-prop-1-enyl]benzoic acid methyl ester Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C=C(C#N)C(=O)N2CCCC2

Isomeric SMILES

COC(=O)C1=CC=CC=C1/C=C(\C#N)/C(=O)N2CCCC2

InChI

InChI=1S/C16H16N2O3/c1-21-16(20)14-7-3-2-6-12(14)10-13(11-17)15(19)18-8-4-5-9-18/h2-3,6-7,10H,4-5,8-9H2,1H3/b13-10+