1-oxidanidylazepin-1-ium-3-one

Systemtic Name: 1-oxidanidylazepin-1-ium-3-one Openeye Name: 1-oxidoazepin-1-ium-3-one CAS Name: 1-oxido-3-azepin-1-iumone IUPAC Name: 1-oxidoazepin-1-ium-3-one Traditional Name: 1-oxidoazepin-1-ium-3-one Formula: C6H5NO2 MolecularWeight: 123.1094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=[N+](C=C1)[O-]

Isomeric SMILES

C1=CC(=O)C=[N+](C=C1)[O-]

InChI

InChI=1S/C6H5NO2/c8-6-3-1-2-4-7(9)5-6/h1-5H