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

Systemtic Name: (3S)-3-azaniumyl-3-(4-nitrophenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(4-nitrophenyl)propanoate CAS Name: (3S)-3-ammonio-3-(4-nitrophenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(4-nitrophenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(4-nitrophenyl)propionate Formula: C9H10N2O4 MolecularWeight: 210.1867

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O4/c10-8(5-9(12)13)6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1