3-hexoxy-5-nitro-4-(phenylcarbonyl)benzoic acid

Systemtic Name: 3-hexoxy-5-nitro-4-(phenylcarbonyl)benzoic acid Openeye Name: 4-benzoyl-3-hexoxy-5-nitro-benzoic acid CAS Name: 4-benzoyl-3-hexoxy-5-nitrobenzoic acid IUPAC Name: 4-benzoyl-3-hexoxy-5-nitrobenzoic acid Traditional Name: 4-benzoyl-3-hexoxy-5-nitro-benzoic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCOC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H21NO6/c1-2-3-4-8-11-27-17-13-15(20(23)24)12-16(21(25)26)18(17)19(22)14-9-6-5-7-10-14/h5-7,9-10,12-13H,2-4,8,11H2,1H3,(H,23,24)