(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone

Systemtic Name: (1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone Openeye Name: (1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone CAS Name: (1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone IUPAC Name: (1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone Traditional Name: (1-oxidobenzofurazan-1-ium-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2CN1C(=O)C3=CC4=NO[N+](=C4C=C3)[O-])C5=CC=CC=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2CN1C(=O)C3=CC4=NO[N+](=C4C=C3)[O-])C5=CC=CC=C5

InChI

InChI=1S/C22H17N3O4/c26-22(16-10-11-19-18(12-16)23-29-25(19)27)24-13-17-8-4-5-9-20(17)28-21(14-24)15-6-2-1-3-7-15/h1-12,21H,13-14H2