(phenylmethyl) 4-(2-nitro-4-piperazin-1-ylcarbonyl-phenyl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-nitro-4-piperazin-1-ylcarbonyl-phenyl)piperazine-1-carboxylate Openeye Name: benzyl 4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-nitro-4-[oxo(1-piperazinyl)methyl]phenyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]piperazine-1-carboxylic acid benzyl ester Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)OCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)OCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O5/c29-22(26-10-8-24-9-11-26)19-6-7-20(21(16-19)28(31)32)25-12-14-27(15-13-25)23(30)33-17-18-4-2-1-3-5-18/h1-7,16,24H,8-15,17H2