N-[2-[oxidanidyl(3-phosphonatopropyl)amino]-2-oxidanylidene-ethyl]-4-(trifluoromethyloxy)benzamide

Systemtic Name: N-[2-[oxidanidyl(3-phosphonatopropyl)amino]-2-oxidanylidene-ethyl]-4-(trifluoromethyloxy)benzamide Openeye Name: N-[2-[oxido(3-phosphonatopropyl)amino]-2-oxo-ethyl]-4-(trifluoromethoxy)benzamide CAS Name: N-[2-[oxido(3-phosphonatopropyl)amino]-2-oxoethyl]-4-(trifluoromethoxy)benzamide IUPAC Name: N-[2-[oxido(3-phosphonatopropyl)amino]-2-oxoethyl]-4-(trifluoromethoxy)benzamide Traditional Name: N-[2-keto-2-[oxido(3-phosphonatopropyl)amino]ethyl]-4-(trifluoromethoxy)benzamide Formula: C13H13F3N2O7P-3 MolecularWeight: 397.220491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC(=O)N(CCCP(=O)([O-])[O-])[O-])OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC(=O)N(CCCP(=O)([O-])[O-])[O-])OC(F)(F)F

InChI

InChI=1S/C13H15F3N2O7P/c14-13(15,16)25-10-4-2-9(3-5-10)12(20)17-8-11(19)18(21)6-1-7-26(22,23)24/h2-5H,1,6-8H2,(H,17,20)(H2,22,23,24)/q-1/p-2