5-methyl-8-nitro-2-oxidanidyl-spiro[4,5-dihydro-2-benzazepin-2-ium-3,1'-cyclohexane]

Systemtic Name: 5-methyl-8-nitro-2-oxidanidyl-spiro[4,5-dihydro-2-benzazepin-2-ium-3,1'-cyclohexane] Openeye Name: 5-methyl-8-nitro-2-oxido-spiro[4,5-dihydro-2-benzazepin-2-ium-3,1'-cyclohexane] CAS Name: 5-methyl-8-nitro-2-oxidospiro[4,5-dihydro-2-benzazepin-2-ium-3,1'-cyclohexane] IUPAC Name: 5-methyl-8-nitro-2-oxidospiro[4,5-dihydro-2-benzazepin-2-ium-3,1'-cyclohexane] Traditional Name: 5-methyl-8-nitro-2-oxido-spiro[4,5-dihydro-2-benzazepin-2-ium-3,1'-cyclohexane] Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2(CCCCC2)[N+](=CC3=C1C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1CC2(CCCCC2)[N+](=CC3=C1C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H20N2O3/c1-12-10-16(7-3-2-4-8-16)17(19)11-13-9-14(18(20)21)5-6-15(12)13/h5-6,9,11-12H,2-4,7-8,10H2,1H3