2-acetamido-3-(3,5-dinitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: 2-acetamido-3-(3,5-dinitro-4-oxidanyl-phenyl)propanoate Openeye Name: 2-acetamido-3-(4-hydroxy-3,5-dinitro-phenyl)propanoate CAS Name: 2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoate IUPAC Name: 2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoate Traditional Name: 2-acetamido-3-(4-hydroxy-3,5-dinitro-phenyl)propionate Formula: C11H10N3O8- MolecularWeight: 312.2124

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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)NC(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)/p-1