tert-butyl 4-(5-ethoxy-4-methoxy-2-nitro-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-ethoxy-4-methoxy-2-nitro-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-ethoxy-4-methoxy-2-nitro-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(5-ethoxy-4-methoxy-2-nitrophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-ethoxy-4-methoxy-2-nitrobenzoyl)piperazine-1-carboxylate Traditional Name: 4-(5-ethoxy-4-methoxy-2-nitro-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H27N3O7 MolecularWeight: 409.43358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C19H27N3O7/c1-6-28-16-11-13(14(22(25)26)12-15(16)27-5)17(23)20-7-9-21(10-8-20)18(24)29-19(2,3)4/h11-12H,6-10H2,1-5H3