(2S)-2-azaniumyl-3-(4-methoxy-3-nitro-phenyl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(4-methoxy-3-nitro-phenyl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(4-methoxy-3-nitro-phenyl)propanoate CAS Name: (2S)-2-ammonio-3-(4-methoxy-3-nitrophenyl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(4-methoxy-3-nitrophenyl)propanoate Traditional Name: (2S)-2-ammonio-3-(4-methoxy-3-nitro-phenyl)propionate Formula: C10H12N2O5 MolecularWeight: 240.21268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=O)[O-])[NH3+])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[C@@H](C(=O)[O-])[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O5/c1-17-9-3-2-6(4-7(11)10(13)14)5-8(9)12(15)16/h2-3,5,7H,4,11H2,1H3,(H,13,14)/t7-/m0/s1