[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-benzo[e][1]benzofuran-1-ylethanoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]benzofuranyl)acetic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C26H23N3O6 MolecularWeight: 473.47732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C26H23N3O6/c30-24(28-13-11-27(12-14-28)20-6-8-21(9-7-20)29(32)33)17-35-25(31)15-19-16-34-23-10-5-18-3-1-2-4-22(18)26(19)23/h1-10,16H,11-15,17H2