pentan-2-yl (1E)-N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-nitro-benzenecarboximidate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC(=NC(=O)NC1=CC(=C(C=C1)OC2=NC=C(C=N2)Br)C)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCC(C)O/C(=N/C(=O)NC1=CC(=C(C=C1)OC2=NC=C(C=N2)Br)C)/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C24H24BrN5O5/c1-4-7-16(3)34-22(19-8-5-6-9-20(19)30(32)33)29-23(31)28-18-10-11-21(15(2)12-18)35-24-26-13-17(25)14-27-24/h5-6,8-14,16H,4,7H2,1-3H3,(H,28,31)/b29-22+