(3S)-3-azaniumyl-4-(4-nitrophenyl)butanoate

Systemtic Name: (3S)-3-azaniumyl-4-(4-nitrophenyl)butanoate Openeye Name: (3S)-3-azaniumyl-4-(4-nitrophenyl)butanoate CAS Name: (3S)-3-ammonio-4-(4-nitrophenyl)butanoate IUPAC Name: (3S)-3-azaniumyl-4-(4-nitrophenyl)butanoate Traditional Name: (3S)-3-ammonio-4-(4-nitrophenyl)butyrate Formula: C10H12N2O4 MolecularWeight: 224.21328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC(=O)[O-])[NH3+])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](CC(=O)[O-])[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O4/c11-8(6-10(13)14)5-7-1-3-9(4-2-7)12(15)16/h1-4,8H,5-6,11H2,(H,13,14)/t8-/m0/s1