ethyl 5-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxy-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]oxy]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxy-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N4O6/c1-3-27-18(24)16-10(2)28-15-7-6-12(8-13(15)16)29-19-20-9-14(23(25)26)17(22-19)21-11-4-5-11/h6-9,11H,3-5H2,1-2H3,(H,20,21,22)