tert-butyl N-[5-(4-imidazol-1-ylphenoxy)-2-nitro-phenyl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[5-(4-imidazol-1-ylphenoxy)-2-nitro-phenyl]-N-methyl-carbamate Openeye Name: tert-butyl N-[5-(4-imidazol-1-ylphenoxy)-2-nitro-phenyl]-N-methyl-carbamate CAS Name: N-[5-[4-(1-imidazolyl)phenoxy]-2-nitrophenyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(4-imidazol-1-ylphenoxy)-2-nitrophenyl]-N-methylcarbamate Traditional Name: N-[5-(4-imidazol-1-ylphenoxy)-2-nitro-phenyl]-N-methyl-carbamic acid tert-butyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C1=C(C=CC(=C1)OC2=CC=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N(C)C1=C(C=CC(=C1)OC2=CC=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5/c1-21(2,3)30-20(26)23(4)19-13-17(9-10-18(19)25(27)28)29-16-7-5-15(6-8-16)24-12-11-22-14-24/h5-14H,1-4H3