[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-phenethylbenzoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-phenethylbenzoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)C3=CC=CC=C3CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)C3=CC=CC=C3CCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O5/c31-26(29-18-16-28(17-19-29)23-12-14-24(15-13-23)30(33)34)20-35-27(32)25-9-5-4-8-22(25)11-10-21-6-2-1-3-7-21/h1-9,12-15H,10-11,16-20H2