(2R,3S)-6-diazonio-3,4-dimethyl-5-oxidanylidene-2-phenyl-2,3-dihydro-1,4-oxazepin-7-olate

Systemtic Name: (2R,3S)-6-diazonio-3,4-dimethyl-5-oxidanylidene-2-phenyl-2,3-dihydro-1,4-oxazepin-7-olate Openeye Name: (2R,3S)-6-diazonio-3,4-dimethyl-5-oxo-2-phenyl-2,3-dihydro-1,4-oxazepin-7-olate CAS Name: (2R,3S)-6-diazonio-3,4-dimethyl-5-oxo-2-phenyl-2,3-dihydro-1,4-oxazepin-7-olate IUPAC Name: (2R,3S)-6-diazonio-3,4-dimethyl-5-oxo-2-phenyl-2,3-dihydro-1,4-oxazepin-7-olate Traditional Name: (2R,3S)-6-diazonio-5-keto-3,4-dimethyl-2-phenyl-2,3-dihydro-1,4-oxazepin-7-olate Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=C(C(=O)N1C)[N+]#N)[O-])C2=CC=CC=C2

Isomeric SMILES

C[C@H]1[C@H](OC(=C(C(=O)N1C)[N+]#N)[O-])C2=CC=CC=C2

InChI

InChI=1S/C13H13N3O3/c1-8-11(9-6-4-3-5-7-9)19-13(18)10(15-14)12(17)16(8)2/h3-8,11H,1-2H3/t8-,11-/m0/s1