methyl 2-[[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-3-methoxy-propanoate

Systemtic Name: methyl 2-[[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-3-methoxy-propanoate Openeye Name: methyl 2-[[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amino]-3-methoxy-propanoate CAS Name: 2-[[6-(4-bromo-2-fluoroanilino)-5-nitro-4-pyrimidinyl]amino]-3-methoxypropanoic acid methyl ester IUPAC Name: methyl 2-[[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]amino]-3-methoxypropanoate Traditional Name: 2-[[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amino]-3-methoxy-propionic acid methyl ester Formula: C15H15BrFN5O5 MolecularWeight: 444.212503

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Descriptors Computed from Structure

Canonical SMILES:

COCC(C(=O)OC)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

COCC(C(=O)OC)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C15H15BrFN5O5/c1-26-6-11(15(23)27-2)21-14-12(22(24)25)13(18-7-19-14)20-10-4-3-8(16)5-9(10)17/h3-5,7,11H,6H2,1-2H3,(H2,18,19,20,21)