(4-heptoxycarbonylphenyl) 4-nitrobenzoate

Systemtic Name: (4-heptoxycarbonylphenyl) 4-nitrobenzoate Openeye Name: (4-heptoxycarbonylphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[heptoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-heptoxycarbonylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-heptoxycarbonylphenyl) ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-2-3-4-5-6-15-27-20(23)16-9-13-19(14-10-16)28-21(24)17-7-11-18(12-8-17)22(25)26/h7-14H,2-6,15H2,1H3