(2S)-1-(cyanomethyl)-3-ethanoyl-2-(3-methoxyphenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-(cyanomethyl)-3-ethanoyl-2-(3-methoxyphenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-(cyanomethyl)-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-(cyanomethyl)-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-(cyanomethyl)-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-(cyanomethyl)-2-keto-5-(3-methoxyphenyl)-3-pyrrolin-3-olate Formula: C15H13N2O4- MolecularWeight: 285.27472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O4/c1-9(18)12-13(10-4-3-5-11(8-10)21-2)17(7-6-16)15(20)14(12)19/h3-5,8,13,19H,7H2,1-2H3/p-1/t13-/m0/s1