2-acetamido-3-[4-(3,5-dinitro-4-oxidanyl-phenoxy)phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[4-(3,5-dinitro-4-oxidanyl-phenoxy)phenyl]propanoic acid Openeye Name: 2-acetamido-3-[4-(4-hydroxy-3,5-dinitro-phenoxy)phenyl]propanoic acid CAS Name: 2-acetamido-3-[4-(4-hydroxy-3,5-dinitrophenoxy)phenyl]propanoic acid IUPAC Name: 2-acetamido-3-[4-(4-hydroxy-3,5-dinitrophenoxy)phenyl]propanoic acid Traditional Name: 2-acetamido-3-[4-(4-hydroxy-3,5-dinitro-phenoxy)phenyl]propionic acid Formula: C17H15N3O9 MolecularWeight: 405.3157

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)OC2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)OC2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H15N3O9/c1-9(21)18-13(17(23)24)6-10-2-4-11(5-3-10)29-12-7-14(19(25)26)16(22)15(8-12)20(27)28/h2-5,7-8,13,22H,6H2,1H3,(H,18,21)(H,23,24)