(5aR,9aS)-8-methyl-5a-nitro-1-oxidanidyl-9,9a-dihydro-6H-benzo[g][2,1,3]benzoxadiazol-1-ium-4-carbonitrile

Systemtic Name: (5aR,9aS)-8-methyl-5a-nitro-1-oxidanidyl-9,9a-dihydro-6H-benzo[g][2,1,3]benzoxadiazol-1-ium-4-carbonitrile Openeye Name: (5aR,9aS)-8-methyl-5a-nitro-1-oxido-9,9a-dihydro-6H-benzo[g][2,1,3]benzoxadiazol-1-ium-4-carbonitrile CAS Name: (5aR,9aS)-8-methyl-5a-nitro-1-oxido-9,9a-dihydro-6H-benzo[g][2,1,3]benzoxadiazol-1-ium-4-carbonitrile IUPAC Name: (5aR,9aS)-8-methyl-5a-nitro-1-oxido-9,9a-dihydro-6H-benzo[g][2,1,3]benzoxadiazol-1-ium-4-carbonitrile Traditional Name: (5aR,9aS)-8-methyl-5a-nitro-1-oxido-9,9a-dihydro-6H-benzo[g][2,1,3]benzoxadiazol-1-ium-4-carbonitrile Formula: C12H10N4O4 MolecularWeight: 274.2322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2(C=C(C3=NO[N+](=C3C2C1)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC[C@]2(C=C(C3=NO[N+](=C3[C@H]2C1)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O4/c1-7-2-3-12(16(18)19)5-8(6-13)10-11(9(12)4-7)15(17)20-14-10/h2,5,9H,3-4H2,1H3/t9-,12-/m1/s1