(2R)-1-(cyanomethyl)-3-ethanoyl-2-(4-methoxycarbonylphenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2R)-1-(cyanomethyl)-3-ethanoyl-2-(4-methoxycarbonylphenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-1-(cyanomethyl)-2-(4-methoxycarbonylphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-1-(cyanomethyl)-2-(4-methoxycarbonylphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-1-(cyanomethyl)-2-(4-methoxycarbonylphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-5-(4-carbomethoxyphenyl)-1-(cyanomethyl)-2-keto-3-pyrrolin-3-olate Formula: C16H13N2O5- MolecularWeight: 313.28482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)C(=O)OC)CC#N)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC=C(C=C2)C(=O)OC)CC#N)[O-]

InChI

InChI=1S/C16H14N2O5/c1-9(19)12-13(18(8-7-17)15(21)14(12)20)10-3-5-11(6-4-10)16(22)23-2/h3-6,13,20H,8H2,1-2H3/p-1/t13-/m1/s1