(4-hexoxyphenyl) 4-methoxy-3-nitro-benzoate

Systemtic Name: (4-hexoxyphenyl) 4-methoxy-3-nitro-benzoate Openeye Name: (4-hexoxyphenyl) 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid (4-hexoxyphenyl) ester Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H23NO6/c1-3-4-5-6-13-26-16-8-10-17(11-9-16)27-20(22)15-7-12-19(25-2)18(14-15)21(23)24/h7-12,14H,3-6,13H2,1-2H3