[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(4-methyl-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-5-nitro-benzoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C23H28N6O5 MolecularWeight: 468.50562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H28N6O5/c1-17-5-9-26(10-6-17)20-4-3-18(29(32)33)15-19(20)22(31)34-16-21(30)27-11-13-28(14-12-27)23-24-7-2-8-25-23/h2-4,7-8,15,17H,5-6,9-14,16H2,1H3