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

Systemtic Name: ethyl 2-[[6-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-[[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(5-chloro-2,4-dimethoxyanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[6-(5-chloro-2,4-dimethoxyanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H20ClN5O6 MolecularWeight: 473.8664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN5O6/c1-4-33-21(28)12-7-5-6-8-14(12)25-19-18(27(29)30)20(24-11-23-19)26-15-9-13(22)16(31-2)10-17(15)32-3/h5-11H,4H2,1-3H3,(H2,23,24,25,26)