ethyl 4-[2-nitro-4-(phenylcarbonyl)phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-nitro-4-(phenylcarbonyl)phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(4-benzoyl-2-nitro-phenyl)piperazine-1-carboxylate CAS Name: 4-(4-benzoyl-2-nitrophenyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoyl-2-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(4-benzoyl-2-nitro-phenyl)piperazine-1-carboxylic acid ethyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-2-28-20(25)22-12-10-21(11-13-22)17-9-8-16(14-18(17)23(26)27)19(24)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3