N-[2-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide

Systemtic Name: N-[2-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide Openeye Name: N-[2-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide CAS Name: N-[2-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide IUPAC Name: N-[2-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide Traditional Name: N-[2-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-oxido-benzofurazan-1-ium-5-carboxamide Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=C(O1)C=C(C=C2)OC)CCNC(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

Isomeric SMILES

C[C@H]1CN(CC2=C(O1)C=C(C=C2)OC)CCNC(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

InChI

InChI=1S/C20H22N4O5/c1-13-11-23(12-15-3-5-16(27-2)10-19(15)28-13)8-7-21-20(25)14-4-6-18-17(9-14)22-29-24(18)26/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,21,25)/t13-/m0/s1