[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-prop-2-ynyl-amino]-methyl-oxidanylidene-phosphanium

Systemtic Name: [[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-prop-2-ynyl-amino]-methyl-oxidanylidene-phosphanium Openeye Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-N-prop-2-ynyl-anilino]-methyl-oxo-phosphonium CAS Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-N-prop-2-ynylanilino]-methyl-oxophosphonium IUPAC Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-N-prop-2-ynylanilino]-methyl-oxophosphanium Traditional Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-N-propargyl-anilino]-keto-methyl-phosphonium Formula: C17H12ClF3N2O4P+ MolecularWeight: 431.710151

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Descriptors Computed from Structure

Canonical SMILES:

C[P+](=O)N(CC#C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C[P+](=O)N(CC#C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClF3N2O4P/c1-3-8-22(28(2)26)15-10-12(5-6-14(15)23(24)25)27-16-7-4-11(9-13(16)18)17(19,20)21/h1,4-7,9-10H,8H2,2H3/q+1