5-acetamido-2-nitro-4-octoxy-benzoic acid

Systemtic Name: 5-acetamido-2-nitro-4-octoxy-benzoic acid Openeye Name: 5-acetamido-2-nitro-4-octoxy-benzoic acid CAS Name: 5-acetamido-2-nitro-4-octoxybenzoic acid IUPAC Name: 5-acetamido-2-nitro-4-octoxybenzoic acid Traditional Name: 5-acetamido-2-nitro-4-octoxy-benzoic acid Formula: C17H24N2O6 MolecularWeight: 352.38226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)NC(=O)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)NC(=O)C

InChI

InChI=1S/C17H24N2O6/c1-3-4-5-6-7-8-9-25-16-11-15(19(23)24)13(17(21)22)10-14(16)18-12(2)20/h10-11H,3-9H2,1-2H3,(H,18,20)(H,21,22)