(5-acetamido-4-cyano-2-ethanoyl-1-methyl-pyrrol-3-yl) ethanoate

Systemtic Name: (5-acetamido-4-cyano-2-ethanoyl-1-methyl-pyrrol-3-yl) ethanoate Openeye Name: (5-acetamido-2-acetyl-4-cyano-1-methyl-pyrrol-3-yl) acetate CAS Name: acetic acid (5-acetamido-2-acetyl-4-cyano-1-methyl-3-pyrrolyl) ester IUPAC Name: (5-acetamido-2-acetyl-4-cyano-1-methylpyrrol-3-yl) acetate Traditional Name: acetic acid (5-acetamido-2-acetyl-4-cyano-1-methyl-pyrrol-3-yl) ester Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(N1C)NC(=O)C)C#N)OC(=O)C

Isomeric SMILES

CC(=O)C1=C(C(=C(N1C)NC(=O)C)C#N)OC(=O)C

InChI

InChI=1S/C12H13N3O4/c1-6(16)10-11(19-8(3)18)9(5-13)12(15(10)4)14-7(2)17/h1-4H3,(H,14,17)