5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate; trimethyl-(phenylmethyl)azanium

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: benzyl(trimethyl)ammonium; 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Formula: C24H22ClF3N2O5 MolecularWeight: 510.89009

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC=CC=C1.C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CC1=CC=CC=C1.C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H7ClF3NO5.C10H16N/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21;1-11(2,3)9-10-7-5-4-6-8-10/h1-6H,(H,20,21);4-8H,9H2,1-3H3/q;+1/p-1