methyl 2-(3-azabicyclo[2.2.1]heptan-3-yl)-6-nitro-quinoline-4-carboxylate

Systemtic Name: methyl 2-(3-azabicyclo[2.2.1]heptan-3-yl)-6-nitro-quinoline-4-carboxylate Openeye Name: methyl 2-(3-azabicyclo[2.2.1]heptan-3-yl)-6-nitro-quinoline-4-carboxylate CAS Name: 2-(3-azabicyclo[2.2.1]heptan-3-yl)-6-nitro-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-azabicyclo[2.2.1]heptan-3-yl)-6-nitroquinoline-4-carboxylate Traditional Name: 2-(3-azabicyclo[2.2.1]heptan-3-yl)-6-nitro-cinchoninic acid methyl ester Formula: C17H17N3O4 MolecularWeight: 327.33458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC2=C1C=C(C=C2)[N+](=O)[O-])N3CC4CCC3C4

Isomeric SMILES

COC(=O)C1=CC(=NC2=C1C=C(C=C2)[N+](=O)[O-])N3CC4CCC3C4

InChI

InChI=1S/C17H17N3O4/c1-24-17(21)14-8-16(19-9-10-2-3-11(19)6-10)18-15-5-4-12(20(22)23)7-13(14)15/h4-5,7-8,10-11H,2-3,6,9H2,1H3