[2-bromanyl-6-nitro-4-(trifluoromethyl)phenyl] 4-pentylbenzoate

Systemtic Name: [2-bromanyl-6-nitro-4-(trifluoromethyl)phenyl] 4-pentylbenzoate Openeye Name: [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] ester IUPAC Name: [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] ester Formula: C19H17BrF3NO4 MolecularWeight: 460.24179

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrF3NO4/c1-2-3-4-5-12-6-8-13(9-7-12)18(25)28-17-15(20)10-14(19(21,22)23)11-16(17)24(26)27/h6-11H,2-5H2,1H3