(2-heptanoyloxyphenyl) 4-nitrobenzoate

Systemtic Name: (2-heptanoyloxyphenyl) 4-nitrobenzoate Openeye Name: (2-heptanoyloxyphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(1-oxoheptoxy)phenyl] ester IUPAC Name: (2-heptanoyloxyphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-enanthyloxyphenyl) ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(=O)OC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO6/c1-2-3-4-5-10-19(22)26-17-8-6-7-9-18(17)27-20(23)15-11-13-16(14-12-15)21(24)25/h6-9,11-14H,2-5,10H2,1H3