3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethyl-urea; 2-(phosphonomethylamino)ethanoic acid

Systemtic Name: 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethyl-urea; 2-(phosphonomethylamino)ethanoic acid Openeye Name: 3-(5-tert-butylisoxazol-3-yl)-1,1-dimethyl-urea; 2-(phosphonomethylamino)acetic acid CAS Name: 3-(5-tert-butyl-3-isoxazolyl)-1,1-dimethylurea; 2-(phosphonomethylamino)acetic acid IUPAC Name: 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea; 2-(phosphonomethylamino)acetic acid Traditional Name: 3-(5-tert-butylisoxazol-3-yl)-1,1-dimethyl-urea; 2-(phosphonomethylamino)acetic acid Formula: C13H25N4O7P MolecularWeight: 380.333961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NO1)NC(=O)N(C)C.C(C(=O)O)NCP(=O)(O)O

Isomeric SMILES

CC(C)(C)C1=CC(=NO1)NC(=O)N(C)C.C(C(=O)O)NCP(=O)(O)O

InChI

InChI=1S/C10H17N3O2.C3H8NO5P/c1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5;5-3(6)1-4-2-10(7,8)9/h6H,1-5H3,(H,11,12,14);4H,1-2H2,(H,5,6)(H2,7,8,9)