(2R)-2-acetamido-3-(3,5-dinitro-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: (2R)-2-acetamido-3-(3,5-dinitro-4-oxidanyl-phenyl)propanoic acid Openeye Name: (2R)-2-acetamido-3-(4-hydroxy-3,5-dinitro-phenyl)propanoic acid CAS Name: (2R)-2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid IUPAC Name: (2R)-2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid Traditional Name: (2R)-2-acetamido-3-(4-hydroxy-3,5-dinitro-phenyl)propionic acid Formula: C11H11N3O8 MolecularWeight: 313.22034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O8/c1-5(15)12-7(11(17)18)2-6-3-8(13(19)20)10(16)9(4-6)14(21)22/h3-4,7,16H,2H2,1H3,(H,12,15)(H,17,18)/t7-/m1/s1