4-hexoxy-5-methoxy-2-nitro-benzoic acid

Systemtic Name: 4-hexoxy-5-methoxy-2-nitro-benzoic acid Openeye Name: 4-hexoxy-5-methoxy-2-nitro-benzoic acid CAS Name: 4-hexoxy-5-methoxy-2-nitrobenzoic acid IUPAC Name: 4-hexoxy-5-methoxy-2-nitrobenzoic acid Traditional Name: 4-hexoxy-5-methoxy-2-nitro-benzoic acid Formula: C14H19NO6 MolecularWeight: 297.30376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)OC

InChI

InChI=1S/C14H19NO6/c1-3-4-5-6-7-21-13-9-11(15(18)19)10(14(16)17)8-12(13)20-2/h8-9H,3-7H2,1-2H3,(H,16,17)