(4-octoxycarbonylphenyl) 4-methyl-3-nitro-benzoate

Systemtic Name: (4-octoxycarbonylphenyl) 4-methyl-3-nitro-benzoate Openeye Name: (4-octoxycarbonylphenyl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [4-[octoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-octoxycarbonylphenyl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (4-octoxycarbonylphenyl) ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6/c1-3-4-5-6-7-8-15-29-22(25)18-11-13-20(14-12-18)30-23(26)19-10-9-17(2)21(16-19)24(27)28/h9-14,16H,3-8,15H2,1-2H3