[2-nitro-4-(trifluoromethyl)phenyl] 4-heptylbenzoate

Systemtic Name: [2-nitro-4-(trifluoromethyl)phenyl] 4-heptylbenzoate Openeye Name: [2-nitro-4-(trifluoromethyl)phenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [2-nitro-4-(trifluoromethyl)phenyl] ester IUPAC Name: [2-nitro-4-(trifluoromethyl)phenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [2-nitro-4-(trifluoromethyl)phenyl] ester Formula: C21H22F3NO4 MolecularWeight: 409.39889

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22F3NO4/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)20(26)29-19-13-12-17(21(22,23)24)14-18(19)25(27)28/h8-14H,2-7H2,1H3