(2S)-2-(methylazaniumyl)-3-(4-nitrophenyl)propanoate

Systemtic Name: (2S)-2-(methylazaniumyl)-3-(4-nitrophenyl)propanoate Openeye Name: (2S)-2-(methylammonio)-3-(4-nitrophenyl)propanoate CAS Name: (2S)-2-(methylammonio)-3-(4-nitrophenyl)propanoate IUPAC Name: (2S)-2-(methylazaniumyl)-3-(4-nitrophenyl)propanoate Traditional Name: (2S)-2-(methylammonio)-3-(4-nitrophenyl)propionate Formula: C10H12N2O4 MolecularWeight: 224.21328

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C[NH2+][C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C10H12N2O4/c1-11-9(10(13)14)6-7-2-4-8(5-3-7)12(15)16/h2-5,9,11H,6H2,1H3,(H,13,14)/t9-/m0/s1