(2R)-4-[(5-chloranyl-2-oxidanyl-phenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(5-chloranyl-2-oxidanyl-phenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(5-chloro-2-hydroxy-anilino)-2-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(5-chloro-2-hydroxyanilino)-2-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(5-chloro-2-hydroxyanilino)-2-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(5-chloro-2-hydroxy-anilino)-2-(2-furfurylammonio)-4-keto-butyrate Formula: C15H15ClN2O5 MolecularWeight: 338.743

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C[NH2+]C(CC(=O)NC2=C(C=CC(=C2)Cl)O)C(=O)[O-]

Isomeric SMILES

C1=COC(=C1)C[NH2+][C@H](CC(=O)NC2=C(C=CC(=C2)Cl)O)C(=O)[O-]

InChI

InChI=1S/C15H15ClN2O5/c16-9-3-4-13(19)11(6-9)18-14(20)7-12(15(21)22)17-8-10-2-1-5-23-10/h1-6,12,17,19H,7-8H2,(H,18,20)(H,21,22)/t12-/m1/s1