8-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-5-nitro-naphthalene-1-carboxylic acid

Systemtic Name: 8-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-5-nitro-naphthalene-1-carboxylic acid Openeye Name: 5-nitro-8-(quinuclidin-3-ylcarbamoyl)naphthalene-1-carboxylic acid CAS Name: 8-[(1-azabicyclo[2.2.2]octan-3-ylamino)-oxomethyl]-5-nitro-1-naphthalenecarboxylic acid IUPAC Name: 8-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-5-nitronaphthalene-1-carboxylic acid Traditional Name: 5-nitro-8-(quinuclidin-3-ylcarbamoyl)-1-naphthoic acid Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C(=O)O

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C(=O)O

InChI

InChI=1S/C19H19N3O5/c23-18(20-15-10-21-8-6-11(15)7-9-21)13-4-5-16(22(26)27)12-2-1-3-14(17(12)13)19(24)25/h1-5,11,15H,6-10H2,(H,20,23)(H,24,25)