N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide Openeye Name: 3-(4-chloro-3-nitro-phenyl)-N-quinuclidin-3-yl-prop-2-enamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chloro-3-nitrophenyl)-2-propenamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide Traditional Name: 3-(4-chloro-3-nitro-phenyl)-N-quinuclidin-3-yl-acrylamide Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN3O3/c17-13-3-1-11(9-15(13)20(22)23)2-4-16(21)18-14-10-19-7-5-12(14)6-8-19/h1-4,9,12,14H,5-8,10H2,(H,18,21)