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

Systemtic Name: 2-acetamido-3-(3,5-dinitro-2-oxidanyl-phenyl)propanoic acid Openeye Name: 2-acetamido-3-(2-hydroxy-3,5-dinitro-phenyl)propanoic acid CAS Name: 2-acetamido-3-(2-hydroxy-3,5-dinitrophenyl)propanoic acid IUPAC Name: 2-acetamido-3-(2-hydroxy-3,5-dinitrophenyl)propanoic acid Traditional Name: 2-acetamido-3-(2-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(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H11N3O8/c1-5(15)12-8(11(17)18)3-6-2-7(13(19)20)4-9(10(6)16)14(21)22/h2,4,8,16H,3H2,1H3,(H,12,15)(H,17,18)