(phenylmethyl) N-[1-[1-azanyl-3-[bis(azanyl)methylideneamino]oxy-1-oxidanylidene-butan-2-yl]-6-methyl-2-oxidanylidene-pyridin-3-yl]carbamate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (phenylmethyl) N-[1-[1-azanyl-3-[bis(azanyl)methylideneamino]oxy-1-oxidanylidene-butan-2-yl]-6-methyl-2-oxidanylidene-pyridin-3-yl]carbamate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: benzyl N-[1-(1-carbamoyl-2-guanidinooxy-propyl)-6-methyl-2-oxo-3-pyridyl]carbamate; 2,2,2-trifluoroacetic acid CAS Name: N-[1-[1-amino-3-(diaminomethylideneamino)oxy-1-oxobutan-2-yl]-6-methyl-2-oxo-3-pyridinyl]carbamic acid (phenylmethyl) ester; 2,2,2-trifluoroacetic acid IUPAC Name: benzyl N-[1-[1-amino-3-(diaminomethylideneamino)oxy-1-oxobutan-2-yl]-6-methyl-2-oxopyridin-3-yl]carbamate; 2,2,2-trifluoroacetic acid Traditional Name: N-[1-(1-carbamoyl-2-guanidinooxy-propyl)-2-keto-6-methyl-3-pyridyl]carbamic acid benzyl ester; 2,2,2-trifluoroacetic acid Formula: C21H25F3N6O7 MolecularWeight: 530.45441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)N1C(C(C)ON=C(N)N)C(=O)N)NC(=O)OCC2=CC=CC=C2.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=CC=C(C(=O)N1C(C(C)ON=C(N)N)C(=O)N)NC(=O)OCC2=CC=CC=C2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H24N6O5.C2HF3O2/c1-11-8-9-14(23-19(28)29-10-13-6-4-3-5-7-13)17(27)25(11)15(16(20)26)12(2)30-24-18(21)22;3-2(4,5)1(6)7/h3-9,12,15H,10H2,1-2H3,(H2,20,26)(H,23,28)(H4,21,22,24);(H,6,7)