tert-butyl 7-[(2-nitrophenyl)amino]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate

Systemtic Name: tert-butyl 7-[(2-nitrophenyl)amino]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate Openeye Name: tert-butyl 7-(2-nitroanilino)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate CAS Name: 7-(2-nitroanilino)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(2-nitroanilino)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate Traditional Name: 7-(2-nitroanilino)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CC(CC1COC2)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C2CC(CC1COC2)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O5/c1-18(2,3)26-17(22)20-13-8-12(9-14(20)11-25-10-13)19-15-6-4-5-7-16(15)21(23)24/h4-7,12-14,19H,8-11H2,1-3H3