[[2-aminocarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]oxy-ethyl-phosphoryl] carbamimidate

Systemtic Name: [[2-aminocarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]oxy-ethyl-phosphoryl] carbamimidate Openeye Name: 6-[carbamimidoyloxy(ethyl)phosphoryl]oxy-1-methyl-4-(trifluoromethyl)indole-2-carboxamide CAS Name: carbamimidic acid [[2-carbamoyl-1-methyl-4-(trifluoromethyl)-6-indolyl]oxy-ethylphosphoryl] ester IUPAC Name: [[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]oxy-ethylphosphoryl] carbamimidate Traditional Name: 6-[amidinooxy(ethyl)phosphoryl]oxy-1-methyl-4-(trifluoromethyl)indole-2-carboxamide Formula: C14H16F3N4O4P MolecularWeight: 392.270211

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Descriptors Computed from Structure

Canonical SMILES:

CCP(=O)(OC1=CC2=C(C=C(N2C)C(=O)N)C(=C1)C(F)(F)F)OC(=N)N

Isomeric SMILES

CCP(=O)(OC1=CC2=C(C=C(N2C)C(=O)N)C(=C1)C(F)(F)F)OC(=N)N

InChI

InChI=1S/C14H16F3N4O4P/c1-3-26(23,25-13(19)20)24-7-4-9(14(15,16)17)8-6-11(12(18)22)21(2)10(8)5-7/h4-6H,3H2,1-2H3,(H2,18,22)(H3,19,20)