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

Systemtic Name: (2S)-4-[(4-chlorophenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-chloroanilino)-2-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (2S)-4-(4-chloroanilino)-2-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (2S)-4-(4-chloroanilino)-2-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-(4-chloroanilino)-2-(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)NC2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O4/c16-10-3-5-11(6-4-10)18-14(19)8-13(15(20)21)17-9-12-2-1-7-22-12/h1-7,13,17H,8-9H2,(H,18,19)(H,20,21)/t13-/m0/s1