methyl 4-[1-(cyanomethyl)-3-ethanoyl-4,5-bis(oxidanylidene)pyrrolidin-2-yl]benzoate

Systemtic Name: methyl 4-[1-(cyanomethyl)-3-ethanoyl-4,5-bis(oxidanylidene)pyrrolidin-2-yl]benzoate Openeye Name: methyl 4-[3-acetyl-1-(cyanomethyl)-4,5-dioxo-pyrrolidin-2-yl]benzoate CAS Name: 4-[3-acetyl-1-(cyanomethyl)-4,5-dioxo-2-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-acetyl-1-(cyanomethyl)-4,5-dioxopyrrolidin-2-yl]benzoate Traditional Name: 4-[3-acetyl-1-(cyanomethyl)-4,5-diketo-pyrrolidin-2-yl]benzoic acid methyl ester Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(N(C(=O)C1=O)CC#N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)C1C(N(C(=O)C1=O)CC#N)C2=CC=C(C=C2)C(=O)OC

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/h3-6,12-13H,8H2,1-2H3