ethyl 4-[6-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(5-chloro-2,4-dimethoxyanilino)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(5-chloro-2,4-dimethoxyanilino)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H23ClN6O6 MolecularWeight: 466.87552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H23ClN6O6/c1-4-32-19(27)25-7-5-24(6-8-25)18-16(26(28)29)17(21-11-22-18)23-13-9-12(20)14(30-2)10-15(13)31-3/h9-11H,4-8H2,1-3H3,(H,21,22,23)