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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CO2

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CO2

InChI

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