1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 1,3-dimethyl-5-nitro-benzene

Systemtic Name: 1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 1,3-dimethyl-5-nitro-benzene Openeye Name: 1-tert-butyl-3-(diaminomethylene)urea; 1,3-dimethyl-5-nitro-benzene CAS Name: 1-tert-butyl-3-(diaminomethylidene)urea; 1,3-dimethyl-5-nitrobenzene IUPAC Name: 1-tert-butyl-3-(diaminomethylidene)urea; 1,3-dimethyl-5-nitrobenzene Traditional Name: 1-tert-butyl-3-(diaminomethylene)urea; 1,3-dimethyl-5-nitro-benzene Formula: C14H23N5O3 MolecularWeight: 309.36412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[N+](=O)[O-])C.CC(C)(C)NC(=O)N=C(N)N

Isomeric SMILES

CC1=CC(=CC(=C1)[N+](=O)[O-])C.CC(C)(C)NC(=O)N=C(N)N

InChI

InChI=1S/C8H9NO2.C6H14N4O/c1-6-3-7(2)5-8(4-6)9(10)11;1-6(2,3)10-5(11)9-4(7)8/h3-5H,1-2H3;1-3H3,(H5,7,8,9,10,11)