2-tert-butyl-1-(3-chloranyl-5-nitro-phenyl)-3-cyano-guanidine

Systemtic Name: 2-tert-butyl-1-(3-chloranyl-5-nitro-phenyl)-3-cyano-guanidine Openeye Name: 2-tert-butyl-1-(3-chloro-5-nitro-phenyl)-3-cyano-guanidine CAS Name: 2-tert-butyl-1-(3-chloro-5-nitrophenyl)-3-cyanoguanidine IUPAC Name: 2-tert-butyl-1-(3-chloro-5-nitrophenyl)-3-cyanoguanidine Traditional Name: 2-tert-butyl-1-(3-chloro-5-nitro-phenyl)-3-cyano-guanidine Formula: C12H14ClN5O2 MolecularWeight: 295.72486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(NC#N)NC1=CC(=CC(=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N=C(NC#N)NC1=CC(=CC(=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H14ClN5O2/c1-12(2,3)17-11(15-7-14)16-9-4-8(13)5-10(6-9)18(19)20/h4-6H,1-3H3,(H2,15,16,17)