(2S)-2-benzamido-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: (2S)-2-benzamido-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid Openeye Name: (2S)-2-benzamido-3-(4-hydroxy-3-nitro-phenyl)propanoic acid CAS Name: (2S)-2-benzamido-3-(4-hydroxy-3-nitrophenyl)propanoic acid IUPAC Name: (2S)-2-benzamido-3-(4-hydroxy-3-nitrophenyl)propanoic acid Traditional Name: (2S)-2-benzamido-3-(4-hydroxy-3-nitro-phenyl)propionic acid Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H14N2O6/c19-14-7-6-10(9-13(14)18(23)24)8-12(16(21)22)17-15(20)11-4-2-1-3-5-11/h1-7,9,12,19H,8H2,(H,17,20)(H,21,22)/t12-/m0/s1