3-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloranyl-7-nitro-1,2,3-benzotriazin-4-one

Systemtic Name: 3-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloranyl-7-nitro-1,2,3-benzotriazin-4-one Openeye Name: 6-chloro-7-nitro-3-quinuclidin-3-yl-1,2,3-benzotriazin-4-one CAS Name: 3-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-nitro-1,2,3-benzotriazin-4-one IUPAC Name: 3-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-nitro-1,2,3-benzotriazin-4-one Traditional Name: 6-chloro-7-nitro-3-quinuclidin-3-yl-1,2,3-benzotriazin-4-one Formula: C14H14ClN5O3 MolecularWeight: 335.74566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)N3C(=O)C4=CC(=C(C=C4N=N3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN2CCC1C(C2)N3C(=O)C4=CC(=C(C=C4N=N3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H14ClN5O3/c15-10-5-9-11(6-12(10)20(22)23)16-17-19(14(9)21)13-7-18-3-1-8(13)2-4-18/h5-6,8,13H,1-4,7H2