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

Systemtic Name: 4-(2-chloroethyloxy)-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: 4-(2-chloroethoxy)-3-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: 4-(2-chloroethoxy)-3-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: 4-(2-chloroethoxy)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: 4-(2-chloroethoxy)-3-(2-furfurylammonio)-4-keto-butyrate Formula: C11H14ClNO5 MolecularWeight: 275.68556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClNO5/c12-3-5-18-11(16)9(6-10(14)15)13-7-8-2-1-4-17-8/h1-2,4,9,13H,3,5-7H2,(H,14,15)