(2S)-2-azaniumyl-2-(3-nitrophenyl)ethanoate

Systemtic Name: (2S)-2-azaniumyl-2-(3-nitrophenyl)ethanoate Openeye Name: (2S)-2-azaniumyl-2-(3-nitrophenyl)acetate CAS Name: (2S)-2-ammonio-2-(3-nitrophenyl)acetate IUPAC Name: (2S)-2-azaniumyl-2-(3-nitrophenyl)acetate Traditional Name: (2S)-2-ammonio-2-(3-nitrophenyl)acetate Formula: C8H8N2O4 MolecularWeight: 196.16012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8N2O4/c9-7(8(11)12)5-2-1-3-6(4-5)10(13)14/h1-4,7H,9H2,(H,11,12)/t7-/m0/s1