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

Systemtic Name: ethyl 3-nitro-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzoate Openeye Name: ethyl 3-nitro-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzoate CAS Name: 3-nitro-5-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzoate Traditional Name: 3-nitro-5-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzoic acid ethyl ester Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O5/c1-2-28-17(25)14-10-13(11-15(12-14)23(26)27)16(24)21-6-8-22(9-7-21)18-19-4-3-5-20-18/h3-5,10-12H,2,6-9H2,1H3