(2S)-1-[(Z)-2-cyano-3-(4-methoxy-2-oxidanyl-phenyl)prop-2-enoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[(Z)-2-cyano-3-(4-methoxy-2-oxidanyl-phenyl)prop-2-enoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[(Z)-2-cyano-3-(2-hydroxy-4-methoxy-phenyl)prop-2-enoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(Z)-2-cyano-3-(2-hydroxy-4-methoxyphenyl)-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[(Z)-2-cyano-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(Z)-2-cyano-3-(2-hydroxy-4-methoxy-phenyl)acryloyl]pyrrolidine-2-carboxylate Formula: C16H15N2O5- MolecularWeight: 315.3007

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=C(C#N)C(=O)N2CCCC2C(=O)[O-])O

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C(/C#N)\C(=O)N2CCC[C@H]2C(=O)[O-])O

InChI

InChI=1S/C16H16N2O5/c1-23-12-5-4-10(14(19)8-12)7-11(9-17)15(20)18-6-2-3-13(18)16(21)22/h4-5,7-8,13,19H,2-3,6H2,1H3,(H,21,22)/p-1/b11-7-/t13-/m0/s1