ethyl 4-(4-ethoxy-3-nitro-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-ethoxy-3-nitro-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(4-ethoxy-3-nitro-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(4-ethoxy-3-nitrophenyl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxy-3-nitrobenzoyl)piperazine-1-carboxylate Traditional Name: 4-(4-ethoxy-3-nitro-benzoyl)piperazine-1-carboxylic acid ethyl ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-3-24-14-6-5-12(11-13(14)19(22)23)15(20)17-7-9-18(10-8-17)16(21)25-4-2/h5-6,11H,3-4,7-10H2,1-2H3