1-[(1S,5R)-9-[(E)-3-(2-chloranyl-5-nitro-phenyl)prop-2-enyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one

Systemtic Name: 1-[(1S,5R)-9-[(E)-3-(2-chloranyl-5-nitro-phenyl)prop-2-enyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one Openeye Name: 1-[(1S,5R)-9-[(E)-3-(2-chloro-5-nitro-phenyl)allyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one CAS Name: 1-[(1S,5R)-9-[(E)-3-(2-chloro-5-nitrophenyl)prop-2-enyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-1-propanone IUPAC Name: 1-[(1S,5R)-9-[(E)-3-(2-chloro-5-nitrophenyl)prop-2-enyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one Traditional Name: 1-[(1S,5R)-9-[(E)-3-(2-chloro-5-nitro-phenyl)allyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one Formula: C19H24ClN3O3 MolecularWeight: 377.86516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC2CCCC(C1)N2CC=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C/C=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H24ClN3O3/c1-2-19(24)21-12-16-6-3-7-17(13-21)22(16)10-4-5-14-11-15(23(25)26)8-9-18(14)20/h4-5,8-9,11,16-17H,2-3,6-7,10,12-13H2,1H3/b5-4+/t16-,17+