pentyl 3-aminocarbonyl-4-[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]-2-nitro-benzenecarboximidate

Systemtic Name: pentyl 3-aminocarbonyl-4-[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]-2-nitro-benzenecarboximidate Openeye Name: pentyl 4-[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-3-carbamoyl-2-nitro-benzenecarboximidate CAS Name: 4-[4-[(5-bromo-2-pyrimidinyl)oxy]-3-methylphenyl]-3-carbamoyl-2-nitrobenzenecarboximidic acid pentyl ester IUPAC Name: pentyl 4-[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]-3-carbamoyl-2-nitrobenzenecarboximidate Traditional Name: 4-[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-3-carbamoyl-2-nitro-benzenecarboximidic acid amyl ester Formula: C24H24BrN5O5 MolecularWeight: 542.38186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=N)C1=C(C(=C(C=C1)C2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)C)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC(=N)C1=C(C(=C(C=C1)C2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)C)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C24H24BrN5O5/c1-3-4-5-10-34-23(27)18-8-7-17(20(22(26)31)21(18)30(32)33)15-6-9-19(14(2)11-15)35-24-28-12-16(25)13-29-24/h6-9,11-13,27H,3-5,10H2,1-2H3,(H2,26,31)