calcium 2-(5-cyano-1-methyl-pyrrol-2-yl)ethanoate

Systemtic Name: calcium 2-(5-cyano-1-methyl-pyrrol-2-yl)ethanoate Openeye Name: calcium 2-(5-cyano-1-methyl-pyrrol-2-yl)acetate CAS Name: calcium 2-(5-cyano-1-methyl-2-pyrrolyl)acetate IUPAC Name: calcium 2-(5-cyano-1-methylpyrrol-2-yl)acetate Traditional Name: calcium 2-(5-cyano-1-methyl-pyrrol-2-yl)acetate Formula: C8H7CaN2O2+ MolecularWeight: 203.23138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C#N)CC(=O)[O-].[Ca+2]

Isomeric SMILES

CN1C(=CC=C1C#N)CC(=O)[O-].[Ca+2]

InChI

InChI=1S/C8H8N2O2.Ca/c1-10-6(4-8(11)12)2-3-7(10)5-9;/h2-3H,4H2,1H3,(H,11,12);/q;+2/p-1