[3,4-bis(azanyl)-2-nitro-6-(trifluoromethyl)phenyl]-(4-tert-butyl-2-chloranyl-phenyl)methanone

Systemtic Name: [3,4-bis(azanyl)-2-nitro-6-(trifluoromethyl)phenyl]-(4-tert-butyl-2-chloranyl-phenyl)methanone Openeye Name: (4-tert-butyl-2-chloro-phenyl)-[3,4-diamino-2-nitro-6-(trifluoromethyl)phenyl]methanone CAS Name: (4-tert-butyl-2-chlorophenyl)-[3,4-diamino-2-nitro-6-(trifluoromethyl)phenyl]methanone IUPAC Name: (4-tert-butyl-2-chlorophenyl)-[3,4-diamino-2-nitro-6-(trifluoromethyl)phenyl]methanone Traditional Name: (4-tert-butyl-2-chloro-phenyl)-[3,4-diamino-2-nitro-6-(trifluoromethyl)phenyl]methanone Formula: C18H17ClF3N3O3 MolecularWeight: 415.79409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C(=O)C2=C(C(=C(C=C2C(F)(F)F)N)N)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C(=O)C2=C(C(=C(C=C2C(F)(F)F)N)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClF3N3O3/c1-17(2,3)8-4-5-9(11(19)6-8)16(26)13-10(18(20,21)22)7-12(23)14(24)15(13)25(27)28/h4-7H,23-24H2,1-3H3