[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-nitrobenzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-nitrobenzoate CAS Name: 2-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-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C17H17N5O5 MolecularWeight: 371.34738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O5/c23-15(12-27-16(24)13-4-1-2-5-14(13)22(25)26)20-8-10-21(11-9-20)17-18-6-3-7-19-17/h1-7H,8-12H2