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

Systemtic Name: (3S)-3-azaniumyl-3-(2-nitrophenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(2-nitrophenyl)propanoate CAS Name: (3S)-3-ammonio-3-(2-nitrophenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(2-nitrophenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(2-nitrophenyl)propionate Formula: C9H10N2O4 MolecularWeight: 210.1867

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O4/c10-7(5-9(12)13)6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1