5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-N-(1-phosphonatoethyl)aniline

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-N-(1-phosphonatoethyl)aniline Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-N-(1-phosphonatoethyl)aniline CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-N-(1-phosphonatoethyl)aniline IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-N-(1-phosphonatoethyl)aniline Traditional Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-(1-phosphonatoethyl)amine Formula: C15H11ClF3N2O6P-2 MolecularWeight: 438.679611

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])P(=O)([O-])[O-]

Isomeric SMILES

CC(NC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C15H13ClF3N2O6P/c1-8(28(24,25)26)20-12-7-10(3-4-13(12)21(22)23)27-14-5-2-9(6-11(14)16)15(17,18)19/h2-8,20H,1H3,(H2,24,25,26)/p-2