5-[[2-cyanoethyl(methyl)azaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[2-cyanoethyl(methyl)azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[2-cyanoethyl(methyl)ammonio]methyl]furan-2-carboxylate CAS Name: 5-[[2-cyanoethyl(methyl)ammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[2-cyanoethyl(methyl)azaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[2-cyanoethyl(methyl)ammonio]methyl]-2-furoate Formula: C10H12N2O3 MolecularWeight: 208.21388

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC#N)CC1=CC=C(O1)C(=O)[O-]

Isomeric SMILES

C[NH+](CCC#N)CC1=CC=C(O1)C(=O)[O-]

InChI

InChI=1S/C10H12N2O3/c1-12(6-2-5-11)7-8-3-4-9(15-8)10(13)14/h3-4H,2,6-7H2,1H3,(H,13,14)