2-(2-adamantyl)-4,4-dimethyl-1-[(4-nitrophenyl)methyl]-1,2-diazetidin-3-one

Systemtic Name: 2-(2-adamantyl)-4,4-dimethyl-1-[(4-nitrophenyl)methyl]-1,2-diazetidin-3-one Openeye Name: 2-(2-adamantyl)-4,4-dimethyl-1-[(4-nitrophenyl)methyl]diazetidin-3-one CAS Name: 2-(2-adamantyl)-4,4-dimethyl-1-[(4-nitrophenyl)methyl]-3-diazetidinone IUPAC Name: 2-(2-adamantyl)-4,4-dimethyl-1-[(4-nitrophenyl)methyl]diazetidin-3-one Traditional Name: 2-(2-adamantyl)-4,4-dimethyl-1-(4-nitrobenzyl)diazetidin-3-one Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(N1CC2=CC=C(C=C2)[N+](=O)[O-])C3C4CC5CC(C4)CC3C5)C

Isomeric SMILES

CC1(C(=O)N(N1CC2=CC=C(C=C2)[N+](=O)[O-])C3C4CC5CC(C4)CC3C5)C

InChI

InChI=1S/C21H27N3O3/c1-21(2)20(25)23(19-16-8-14-7-15(10-16)11-17(19)9-14)22(21)12-13-3-5-18(6-4-13)24(26)27/h3-6,14-17,19H,7-12H2,1-2H3