6-Nitro-(1S,4R)-1,2,3,4-tetrahydro-1,4-epiazano-naphthalene-9-carboxylic acid tert-butyl ester

The molecular formula of the compound is C15H18N2O4.

The synonyms of the compound are 942492-09-3, 6-Nitro-(1S,4R)-1,2,3,4-tetrahydro-1,4-epiazano-naphthalene-9-carboxylic acid tert-butyl ester, 2-Methyl-2-propanyl(1R,8S)-4-nitro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate, (1S,4R)-tert-butyl 6-nitro-1,2,3,4-tetrahydro-1,4-epiminonaphthalene-9-carboxylate, tert-butyl (1R,8S)-4-nitro-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylate.

The molecular weight of the compound is 290.31 g/mol.

The IUPAC name of the compound is tert-butyl (1R,8S)-4-nitro-11-azatricyclo[6.2.1.0 2,7]undeca-2(7),3,5-triene-11-carboxylate.

The InChI of the compound is InChI=1S/C15H18N2O4/c1-15(2,3)21-14(18)16-12-6-7-13(16)11-8-9(17(19)20)4-5-10(11)12/h4-5,8,12-13H,6-7H2,1-3H3/t12-,13+/m0/s1.

The InChIKey of the compound is QISHSLGQRNLFBK-QWHCGFSZSA-N.

The canonical SMILES of the compound is CC(C)(C)OC(=O)N1C2CCC1C3=C2C=CC(=C3)[N+](=O)[O-].

The hydrogen bond donor count of the compound is 0.

The hydrogen bond acceptor count of the compound is 4.

Yes, the compound is canonicalized.