methyl 4-[1-(cyanomethyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[1-(cyanomethyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[3-acetyl-1-(cyanomethyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[3-acetyl-1-(cyanomethyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-acetyl-1-(cyanomethyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[3-acetyl-1-(cyanomethyl)-4-hydroxy-5-keto-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C16H14N2O5 MolecularWeight: 314.29276

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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(C1C2=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