ethyl 2-methyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepin-1-ium-1-carboxylate

Systemtic Name: ethyl 2-methyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepin-1-ium-1-carboxylate Openeye Name: ethyl 2-methyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepin-1-ium-1-carboxylate CAS Name: 2-methyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepin-1-ium-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepin-1-ium-1-carboxylate Traditional Name: 2-methyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepin-1-ium-1-carboxylic acid ethyl ester Formula: C14H16N3O3+ MolecularWeight: 274.29514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1=C(N=C2N1C3=CC=CC=C3OCC2)C

Isomeric SMILES

CCOC(=O)[N+]1=C(N=C2N1C3=CC=CC=C3OCC2)C

InChI

InChI=1S/C14H16N3O3/c1-3-19-14(18)16-10(2)15-13-8-9-20-12-7-5-4-6-11(12)17(13)16/h4-7H,3,8-9H2,1-2H3/q+1