5-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-nitro-benzoic acid

Systemtic Name: 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-nitro-benzoic acid Openeye Name: 2-nitro-5-(quinuclidin-3-ylamino)benzoic acid CAS Name: 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-nitrobenzoic acid IUPAC Name: 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-nitrobenzoic acid Traditional Name: 2-nitro-5-(quinuclidin-3-ylamino)benzoic acid Formula: C14H17N3O4 MolecularWeight: 291.30248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN2CCC1C(C2)NC3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H17N3O4/c18-14(19)11-7-10(1-2-13(11)17(20)21)15-12-8-16-5-3-9(12)4-6-16/h1-2,7,9,12,15H,3-6,8H2,(H,18,19)