tert-butyl 4-(3-ethoxycarbonyl-5-nitro-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-ethoxycarbonyl-5-nitro-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-ethoxycarbonyl-5-nitro-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(3-ethoxycarbonyl-5-nitrophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-ethoxycarbonyl-5-nitrobenzoyl)piperazine-1-carboxylate Traditional Name: 4-(3-carbethoxy-5-nitro-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H25N3O7 MolecularWeight: 407.4177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O7/c1-5-28-17(24)14-10-13(11-15(12-14)22(26)27)16(23)20-6-8-21(9-7-20)18(25)29-19(2,3)4/h10-12H,5-9H2,1-4H3