(phenylmethyl) 4-[2-nitro-3-(phenylcarbonyl)phenyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-nitro-3-(phenylcarbonyl)phenyl]piperazine-1-carboxylate Openeye Name: benzyl 4-(3-benzoyl-2-nitro-phenyl)piperazine-1-carboxylate CAS Name: 4-(3-benzoyl-2-nitrophenyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-benzoyl-2-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(3-benzoyl-2-nitro-phenyl)piperazine-1-carboxylic acid benzyl ester Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2[N+](=O)[O-])C(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2[N+](=O)[O-])C(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O5/c29-24(20-10-5-2-6-11-20)21-12-7-13-22(23(21)28(31)32)26-14-16-27(17-15-26)25(30)33-18-19-8-3-1-4-9-19/h1-13H,14-18H2