N-[bis(azanyl)methylidene]-1-methyl-6-(phosphonatomethyl)-4-(trifluoromethyl)indole-2-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-1-methyl-6-(phosphonatomethyl)-4-(trifluoromethyl)indole-2-carboxamide Openeye Name: N-(diaminomethylene)-1-methyl-6-(phosphonatomethyl)-4-(trifluoromethyl)indole-2-carboxamide CAS Name: N-(diaminomethylidene)-1-methyl-6-(phosphonatomethyl)-4-(trifluoromethyl)-2-indolecarboxamide IUPAC Name: N-(diaminomethylidene)-1-methyl-6-(phosphonatomethyl)-4-(trifluoromethyl)indole-2-carboxamide Traditional Name: N-(diaminomethylene)-1-methyl-6-(phosphonatomethyl)-4-(trifluoromethyl)indole-2-carboxamide Formula: C13H12F3N4O4P-2 MolecularWeight: 376.227751

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=CC(=C2C=C1C(=O)N=C(N)N)C(F)(F)F)CP(=O)([O-])[O-]

Isomeric SMILES

CN1C2=CC(=CC(=C2C=C1C(=O)N=C(N)N)C(F)(F)F)CP(=O)([O-])[O-]

InChI

InChI=1S/C13H14F3N4O4P/c1-20-9-3-6(5-25(22,23)24)2-8(13(14,15)16)7(9)4-10(20)11(21)19-12(17)18/h2-4H,5H2,1H3,(H2,22,23,24)(H4,17,18,19,21)/p-2