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

Systemtic Name: tert-butyl N-[5-[4-(1-adamantyl)phenoxy]-2-nitro-phenyl]-N-methyl-carbamate Openeye Name: tert-butyl N-[5-[4-(1-adamantyl)phenoxy]-2-nitro-phenyl]-N-methyl-carbamate CAS Name: N-[5-[4-(1-adamantyl)phenoxy]-2-nitrophenyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[4-(1-adamantyl)phenoxy]-2-nitrophenyl]-N-methylcarbamate Traditional Name: N-[5-[4-(1-adamantyl)phenoxy]-2-nitro-phenyl]-N-methyl-carbamic acid tert-butyl ester Formula: C28H34N2O5 MolecularWeight: 478.57996

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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)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N(C)C1=C(C=CC(=C1)OC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C28H34N2O5/c1-27(2,3)35-26(31)29(4)25-14-23(9-10-24(25)30(32)33)34-22-7-5-21(6-8-22)28-15-18-11-19(16-28)13-20(12-18)17-28/h5-10,14,18-20H,11-13,15-17H2,1-4H3