methyl 3-nitro-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzoate Openeye Name: methyl 3-nitro-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzoate CAS Name: 3-nitro-5-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzoate Traditional Name: 3-nitro-5-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C17H17N5O5 MolecularWeight: 371.34738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O5/c1-27-16(24)13-9-12(10-14(11-13)22(25)26)15(23)20-5-7-21(8-6-20)17-18-3-2-4-19-17/h2-4,9-11H,5-8H2,1H3