tert-butyl 4-[(8-nitro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(8-nitro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(8-nitro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(8-nitro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(8-nitro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(8-nitro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H26N4O6 MolecularWeight: 406.43294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2CCOC3=C(C2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2CCOC3=C(C2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O6/c1-19(2,3)29-18(25)21-8-6-20(7-9-21)17(24)22-10-11-28-16-12-15(23(26)27)5-4-14(16)13-22/h4-5,12H,6-11,13H2,1-3H3