(4-tridecoxycarbonylphenyl) 4-nitrobenzoate

Systemtic Name: (4-tridecoxycarbonylphenyl) 4-nitrobenzoate Openeye Name: (4-tridecoxycarbonylphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[oxo(tridecoxy)methyl]phenyl] ester IUPAC Name: (4-tridecoxycarbonylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-tridecoxycarbonylphenyl) ester Formula: C27H35NO6 MolecularWeight: 469.5699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO6/c1-2-3-4-5-6-7-8-9-10-11-12-21-33-26(29)22-15-19-25(20-16-22)34-27(30)23-13-17-24(18-14-23)28(31)32/h13-20H,2-12,21H2,1H3