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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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