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

Systemtic Name: [[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-prop-2-ynyl-amino]-ethyl-oxidanylidene-phosphanium Openeye Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-N-prop-2-ynyl-anilino]-ethyl-oxo-phosphonium CAS Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-N-prop-2-ynylanilino]-ethyl-oxophosphonium IUPAC Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-N-prop-2-ynylanilino]-ethyl-oxophosphanium Traditional Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-N-propargyl-anilino]-ethyl-keto-phosphonium Formula: C18H14ClF3N2O4P+ MolecularWeight: 445.736731

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Descriptors Computed from Structure

Canonical SMILES:

CC[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

CC[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/C18H14ClF3N2O4P/c1-3-9-23(29(27)4-2)16-11-13(6-7-15(16)24(25)26)28-17-8-5-12(10-14(17)19)18(20,21)22/h1,5-8,10-11H,4,9H2,2H3/q+1