2-azanyl-3-[3-nitro-4-oxidanyl-2-(phenylcarbonyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-nitro-4-oxidanyl-2-(phenylcarbonyl)phenyl]propanoic acid Openeye Name: 2-amino-3-(2-benzoyl-4-hydroxy-3-nitro-phenyl)propanoic acid CAS Name: 2-amino-3-(2-benzoyl-4-hydroxy-3-nitrophenyl)propanoic acid IUPAC Name: 2-amino-3-(2-benzoyl-4-hydroxy-3-nitrophenyl)propanoic acid Traditional Name: 2-amino-3-(2-benzoyl-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)C2=C(C=CC(=C2[N+](=O)[O-])O)CC(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6/c17-11(16(21)22)8-10-6-7-12(19)14(18(23)24)13(10)15(20)9-4-2-1-3-5-9/h1-7,11,19H,8,17H2,(H,21,22)