3-[bis(azanyl)methylideneamino]oxy-2-[6-methyl-3-[(2-nitrophenyl)sulfonylamino]-2-oxidanylidene-pyridin-1-yl]butanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-[bis(azanyl)methylideneamino]oxy-2-[6-methyl-3-[(2-nitrophenyl)sulfonylamino]-2-oxidanylidene-pyridin-1-yl]butanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-guanidinooxy-2-[6-methyl-3-[(2-nitrophenyl)sulfonylamino]-2-oxo-1-pyridyl]butanamide; 2,2,2-trifluoroacetic acid CAS Name: 3-(diaminomethylideneamino)oxy-2-[6-methyl-3-[(2-nitrophenyl)sulfonylamino]-2-oxo-1-pyridinyl]butanamide; 2,2,2-trifluoroacetic acid IUPAC Name: 3-(diaminomethylideneamino)oxy-2-[6-methyl-3-[(2-nitrophenyl)sulfonylamino]-2-oxopyridin-1-yl]butanamide; 2,2,2-trifluoroacetic acid Traditional Name: 3-guanidinooxy-2-[2-keto-6-methyl-3-[(2-nitrophenyl)sulfonylamino]-1-pyridyl]butyramide; 2,2,2-trifluoroacetic acid Formula: C19H22F3N7O9S MolecularWeight: 581.47969

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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)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-].C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=CC=C(C(=O)N1C(C(C)ON=C(N)N)C(=O)N)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-].C(=O)(C(F)(F)F)O

InChI

InChI=1S/C17H21N7O7S.C2HF3O2/c1-9-7-8-11(22-32(29,30)13-6-4-3-5-12(13)24(27)28)16(26)23(9)14(15(18)25)10(2)31-21-17(19)20;3-2(4,5)1(6)7/h3-8,10,14,22H,1-2H3,(H2,18,25)(H4,19,20,21);(H,6,7)