(2S)-2-azanyl-3-(2-nitro-5-phenylmethoxy-phenyl)propanoic acid

Systemtic Name: (2S)-2-azanyl-3-(2-nitro-5-phenylmethoxy-phenyl)propanoic acid Openeye Name: (2S)-2-amino-3-(5-benzyloxy-2-nitro-phenyl)propanoic acid CAS Name: (2S)-2-amino-3-(2-nitro-5-phenylmethoxyphenyl)propanoic acid IUPAC Name: (2S)-2-amino-3-(2-nitro-5-phenylmethoxyphenyl)propanoic acid Traditional Name: (2S)-2-amino-3-(5-benzoxy-2-nitro-phenyl)propionic acid Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=C(C=C2)[N+](=O)[O-])CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=C(C=C2)[N+](=O)[O-])C[C@@H](C(=O)O)N

InChI

InChI=1S/C16H16N2O5/c17-14(16(19)20)9-12-8-13(6-7-15(12)18(21)22)23-10-11-4-2-1-3-5-11/h1-8,14H,9-10,17H2,(H,19,20)/t14-/m0/s1