(2R)-4-[(4-bromophenyl)amino]-2-(2-hydroxyethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(4-bromophenyl)amino]-2-(2-hydroxyethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-bromoanilino)-2-(2-hydroxyethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-bromoanilino)-2-(2-hydroxyethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-bromoanilino)-2-(2-hydroxyethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-bromoanilino)-2-(2-hydroxyethylammonio)-4-keto-butyrate Formula: C12H15BrN2O4 MolecularWeight: 331.1625

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CCO)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CCO)Br

InChI

InChI=1S/C12H15BrN2O4/c13-8-1-3-9(4-2-8)15-11(17)7-10(12(18)19)14-5-6-16/h1-4,10,14,16H,5-7H2,(H,15,17)(H,18,19)/t10-/m1/s1