ethyl 4-[[6-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(3-chloro-4-fluoroanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(3-chloro-4-fluoroanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C19H15ClFN5O4 MolecularWeight: 431.804903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H15ClFN5O4/c1-2-30-19(27)11-3-5-12(6-4-11)24-17-16(26(28)29)18(23-10-22-17)25-13-7-8-15(21)14(20)9-13/h3-10H,2H2,1H3,(H2,22,23,24,25)