[2-aminocarbonyl-3-carbamimidoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]phosphonic acid

Systemtic Name: [2-aminocarbonyl-3-carbamimidoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]phosphonic acid Openeye Name: [3-carbamimidoyl-2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]phosphonic acid CAS Name: [3-carbamimidoyl-2-carbamoyl-1-methyl-4-(trifluoromethyl)-6-indolyl]phosphonic acid IUPAC Name: [3-carbamimidoyl-2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]phosphonic acid Traditional Name: [3-amidino-2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]phosphonic acid Formula: C12H12F3N4O4P MolecularWeight: 364.217051

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC(=C2)P(=O)(O)O)C(F)(F)F)C(=C1C(=O)N)C(=N)N

Isomeric SMILES

CN1C2=C(C(=CC(=C2)P(=O)(O)O)C(F)(F)F)C(=C1C(=O)N)C(=N)N

InChI

InChI=1S/C12H12F3N4O4P/c1-19-6-3-4(24(21,22)23)2-5(12(13,14)15)7(6)8(10(16)17)9(19)11(18)20/h2-3H,1H3,(H3,16,17)(H2,18,20)(H2,21,22,23)