ethyl 2-[[6-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 2-[[6-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-[[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(3-chloro-4-fluoroanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[6-(3-chloro-4-fluoroanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[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=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl

InChI

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