(4-hexoxyphenyl) 3-nitrobenzoate

Systemtic Name: (4-hexoxyphenyl) 3-nitrobenzoate Openeye Name: (4-hexoxyphenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-hexoxyphenyl) ester Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5/c1-2-3-4-5-13-24-17-9-11-18(12-10-17)25-19(21)15-7-6-8-16(14-15)20(22)23/h6-12,14H,2-5,13H2,1H3