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

Systemtic Name: methyl 2-[[6-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H13ClFN5O4 MolecularWeight: 417.778323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClFN5O4/c1-29-18(26)11-4-2-3-5-14(11)24-17-15(25(27)28)16(21-9-22-17)23-10-6-7-13(20)12(19)8-10/h2-9H,1H3,(H2,21,22,23,24)