1-[9-[(E)-3-(2-chloranyl-6-nitro-phenyl)prop-2-enyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one

Systemtic Name: 1-[9-[(E)-3-(2-chloranyl-6-nitro-phenyl)prop-2-enyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one Openeye Name: 1-[9-[(E)-3-(2-chloro-6-nitro-phenyl)allyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one CAS Name: 1-[9-[(E)-3-(2-chloro-6-nitrophenyl)prop-2-enyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-1-propanone IUPAC Name: 1-[9-[(E)-3-(2-chloro-6-nitrophenyl)prop-2-enyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one Traditional Name: 1-[9-[(E)-3-(2-chloro-6-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=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1CC2CCCC(C1)N2C/C=C/C3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H24ClN3O3/c1-2-19(24)21-12-14-6-3-7-15(13-21)22(14)11-5-8-16-17(20)9-4-10-18(16)23(25)26/h4-5,8-10,14-15H,2-3,6-7,11-13H2,1H3/b8-5+