ethyl 4-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H20ClN5O5 MolecularWeight: 421.8349

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=C(C=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=C(C=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN5O5/c1-3-28-18(25)23-8-6-22(7-9-23)16-15(24(26)27)17(21-11-20-16)29-13-4-5-14(19)12(2)10-13/h4-5,10-11H,3,6-9H2,1-2H3