4-[4-nitro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-nitro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[4-nitro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine-1-carboxylic acid CAS Name: 4-[4-nitro-2-(3,3,5,5-tetramethyl-1-cyclohexenyl)phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-nitro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-nitro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine-1-carboxylic acid Formula: C21H29N3O4 MolecularWeight: 387.47266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(C1)(C)C)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C(=O)O)C

Isomeric SMILES

CC1(CC(=CC(C1)(C)C)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C(=O)O)C

InChI

InChI=1S/C21H29N3O4/c1-20(2)12-15(13-21(3,4)14-20)17-11-16(24(27)28)5-6-18(17)22-7-9-23(10-8-22)19(25)26/h5-6,11-12H,7-10,13-14H2,1-4H3,(H,25,26)