1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 1-nitro-3-(trifluoromethyl)benzene

Systemtic Name: 1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 1-nitro-3-(trifluoromethyl)benzene Openeye Name: 1-tert-butyl-3-(diaminomethylene)urea; 1-nitro-3-(trifluoromethyl)benzene CAS Name: 1-tert-butyl-3-(diaminomethylidene)urea; 1-nitro-3-(trifluoromethyl)benzene IUPAC Name: 1-tert-butyl-3-(diaminomethylidene)urea; 1-nitro-3-(trifluoromethyl)benzene Traditional Name: 1-tert-butyl-3-(diaminomethylene)urea; 1-nitro-3-(trifluoromethyl)benzene Formula: C13H18F3N5O3 MolecularWeight: 349.30893

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N=C(N)N.C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=O)N=C(N)N.C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C7H4F3NO2.C6H14N4O/c8-7(9,10)5-2-1-3-6(4-5)11(12)13;1-6(2,3)10-5(11)9-4(7)8/h1-4H;1-3H3,(H5,7,8,9,10,11)