(3S)-3-azaniumyl-4-[(4-chlorophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-azaniumyl-4-[(4-chlorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3S)-3-azaniumyl-4-(4-chloroanilino)-4-oxo-butanoate CAS Name: (3S)-3-ammonio-4-(4-chloroanilino)-4-oxobutanoate IUPAC Name: (3S)-3-azaniumyl-4-(4-chloroanilino)-4-oxobutanoate Traditional Name: (3S)-3-ammonio-4-(4-chloroanilino)-4-keto-butyrate Formula: C10H11ClN2O3 MolecularWeight: 242.65894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(CC(=O)[O-])[NH3+])Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)[C@H](CC(=O)[O-])[NH3+])Cl

InChI

InChI=1S/C10H11ClN2O3/c11-6-1-3-7(4-2-6)13-10(16)8(12)5-9(14)15/h1-4,8H,5,12H2,(H,13,16)(H,14,15)/t8-/m0/s1