4-(azaniumylmethyl)-5-ethyl-furan-2-carboxylate

Systemtic Name: 4-(azaniumylmethyl)-5-ethyl-furan-2-carboxylate Openeye Name: 4-(azaniumylmethyl)-5-ethyl-furan-2-carboxylate CAS Name: 4-(ammoniomethyl)-5-ethyl-2-furancarboxylate IUPAC Name: 4-(azaniumylmethyl)-5-ethylfuran-2-carboxylate Traditional Name: 4-(ammoniomethyl)-5-ethyl-2-furoate Formula: C8H11NO3 MolecularWeight: 169.17784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(O1)C(=O)[O-])C[NH3+]

Isomeric SMILES

CCC1=C(C=C(O1)C(=O)[O-])C[NH3+]

InChI

InChI=1S/C8H11NO3/c1-2-6-5(4-9)3-7(12-6)8(10)11/h3H,2,4,9H2,1H3,(H,10,11)