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

Systemtic Name: pentan-2-yl 3-aminocarbonyl-4-[2-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]-2-nitro-benzenecarboximidate Openeye Name: 1-methylbutyl 4-[2-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-3-carbamoyl-2-nitro-benzenecarboximidate CAS Name: 4-[2-[(5-bromo-2-pyrimidinyl)oxy]-3-methylphenyl]-3-carbamoyl-2-nitrobenzenecarboximidic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 4-[2-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]-3-carbamoyl-2-nitrobenzenecarboximidate Traditional Name: 4-[2-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-3-carbamoyl-2-nitro-benzenecarboximidic acid 1-methylbutyl ester Formula: C24H24BrN5O5 MolecularWeight: 542.38186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrN5O5/c1-4-6-14(3)34-23(27)18-10-9-16(19(22(26)31)20(18)30(32)33)17-8-5-7-13(2)21(17)35-24-28-11-15(25)12-29-24/h5,7-12,14,27H,4,6H2,1-3H3,(H2,26,31)