2-hexoxycarbonyl-6-nitro-benzoic acid

Systemtic Name: 2-hexoxycarbonyl-6-nitro-benzoic acid Openeye Name: 2-hexoxycarbonyl-6-nitro-benzoic acid CAS Name: 2-[hexoxy(oxo)methyl]-6-nitrobenzoic acid IUPAC Name: 2-hexoxycarbonyl-6-nitrobenzoic acid Traditional Name: 2-hexoxycarbonyl-6-nitro-benzoic acid Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H17NO6/c1-2-3-4-5-9-21-14(18)10-7-6-8-11(15(19)20)12(10)13(16)17/h6-8H,2-5,9H2,1H3,(H,16,17)