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

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-[[(2R)-oxolan-2-yl]methylamino]prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-cyano-3-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methylamino]prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-oxo-3-[[(2R)-2-oxolanyl]methylamino]prop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-keto-3-[[(2R)-tetrahydrofuran-2-yl]methylamino]prop-1-enyl]benzoate Formula: C16H15N2O4- MolecularWeight: 299.3013

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C(=CC2=CC=C(C=C2)C(=O)[O-])C#N

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)/C(=C/C2=CC=C(C=C2)C(=O)[O-])/C#N

InChI

InChI=1S/C16H16N2O4/c17-9-13(15(19)18-10-14-2-1-7-22-14)8-11-3-5-12(6-4-11)16(20)21/h3-6,8,14H,1-2,7,10H2,(H,18,19)(H,20,21)/p-1/b13-8+/t14-/m1/s1