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

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C20H18N4O5 MolecularWeight: 394.38072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5/c21-13-15-1-3-16(4-2-15)20(26)29-14-19(25)23-11-9-22(10-12-23)17-5-7-18(8-6-17)24(27)28/h1-8H,9-12,14H2