4-(furan-2-ylmethylamino)-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-(furan-2-ylmethylamino)-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: 4-(2-furylmethylamino)-3-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: 4-(2-furanylmethylamino)-3-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: 4-(furan-2-ylmethylamino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: 4-(2-furfurylamino)-3-(2-furfurylammonio)-4-keto-butyrate Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C[NH2+]C(CC(=O)[O-])C(=O)NCC2=CC=CO2

Isomeric SMILES

C1=COC(=C1)C[NH2+]C(CC(=O)[O-])C(=O)NCC2=CC=CO2

InChI

InChI=1S/C14H16N2O5/c17-13(18)7-12(15-8-10-3-1-5-20-10)14(19)16-9-11-4-2-6-21-11/h1-6,12,15H,7-9H2,(H,16,19)(H,17,18)