(3R)-4-[(4-chlorophenyl)amino]-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (3R)-4-[(4-chlorophenyl)amino]-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (3R)-4-(4-chloroanilino)-3-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (3R)-4-(4-chloroanilino)-3-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (3R)-4-(4-chloroanilino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (3R)-4-(4-chloroanilino)-3-(2-furfurylammonio)-4-keto-butyrate Formula: C15H15ClN2O4 MolecularWeight: 322.7436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O4/c16-10-3-5-11(6-4-10)18-15(21)13(8-14(19)20)17-9-12-2-1-7-22-12/h1-7,13,17H,8-9H2,(H,18,21)(H,19,20)/t13-/m1/s1