tert-butyl N-[5-(2-chloranyl-5-nitro-phenyl)-4-methyl-6-nitro-cyclohex-2-en-1-yl]carbamate

Systemtic Name: tert-butyl N-[5-(2-chloranyl-5-nitro-phenyl)-4-methyl-6-nitro-cyclohex-2-en-1-yl]carbamate Openeye Name: tert-butyl N-[5-(2-chloro-5-nitro-phenyl)-4-methyl-6-nitro-cyclohex-2-en-1-yl]carbamate CAS Name: N-[5-(2-chloro-5-nitrophenyl)-4-methyl-6-nitro-1-cyclohex-2-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(2-chloro-5-nitrophenyl)-4-methyl-6-nitrocyclohex-2-en-1-yl]carbamate Traditional Name: N-[5-(2-chloro-5-nitro-phenyl)-4-methyl-6-nitro-cyclohex-2-en-1-yl]carbamic acid tert-butyl ester Formula: C18H22ClN3O6 MolecularWeight: 411.83678

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(C(C1C2=C(C=CC(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC1C=CC(C(C1C2=C(C=CC(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H22ClN3O6/c1-10-5-8-14(20-17(23)28-18(2,3)4)16(22(26)27)15(10)12-9-11(21(24)25)6-7-13(12)19/h5-10,14-16H,1-4H3,(H,20,23)