tert-butyl 4-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H23N3O7 MolecularWeight: 393.39112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C18H23N3O7/c1-18(2,3)28-17(23)20-6-4-19(5-7-20)16(22)12-10-14-15(27-9-8-26-14)11-13(12)21(24)25/h10-11H,4-9H2,1-3H3