tert-butyl 4-[[(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(7-nitrotetralin-2-yl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(7-nitrotetralin-2-yl)amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CNC2CCC3=C(C2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC2CCC3=C(C2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N3O4/c1-21(2,3)28-20(25)23-10-8-15(9-11-23)14-22-18-6-4-16-5-7-19(24(26)27)13-17(16)12-18/h5,7,13,15,18,22H,4,6,8-12,14H2,1-3H3