tert-butyl N-[2,6-dimethyl-4-[3-(methylcarbamoyloxy)-4-nitro-phenoxy]phenyl]carbamate

Systemtic Name: tert-butyl N-[2,6-dimethyl-4-[3-(methylcarbamoyloxy)-4-nitro-phenoxy]phenyl]carbamate Openeye Name: tert-butyl N-[2,6-dimethyl-4-[3-(methylcarbamoyloxy)-4-nitro-phenoxy]phenyl]carbamate CAS Name: N-[2,6-dimethyl-4-[3-(methylcarbamoyloxy)-4-nitrophenoxy]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2,6-dimethyl-4-[3-(methylcarbamoyloxy)-4-nitrophenoxy]phenyl]carbamate Traditional Name: N-[2,6-dimethyl-4-[3-(methylcarbamoyloxy)-4-nitro-phenoxy]phenyl]carbamic acid tert-butyl ester Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)OC(C)(C)C)C)OC2=CC(=C(C=C2)[N+](=O)[O-])OC(=O)NC

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)OC(C)(C)C)C)OC2=CC(=C(C=C2)[N+](=O)[O-])OC(=O)NC

InChI

InChI=1S/C21H25N3O7/c1-12-9-15(10-13(2)18(12)23-20(26)31-21(3,4)5)29-14-7-8-16(24(27)28)17(11-14)30-19(25)22-6/h7-11H,1-6H3,(H,22,25)(H,23,26)