4-acetamido-2,6-dinitro-3-oxidanyl-benzoic acid

Systemtic Name: 4-acetamido-2,6-dinitro-3-oxidanyl-benzoic acid Openeye Name: 4-acetamido-3-hydroxy-2,6-dinitro-benzoic acid CAS Name: 4-acetamido-3-hydroxy-2,6-dinitrobenzoic acid IUPAC Name: 4-acetamido-3-hydroxy-2,6-dinitrobenzoic acid Traditional Name: 4-acetamido-3-hydroxy-2,6-dinitro-benzoic acid Formula: C9H7N3O8 MolecularWeight: 285.16718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C(=C1O)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=C(C(=C1O)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H7N3O8/c1-3(13)10-4-2-5(11(17)18)6(9(15)16)7(8(4)14)12(19)20/h2,14H,1H3,(H,10,13)(H,15,16)