(1-azanyl-2-methyl-1-oxidanylidene-pentan-2-yl) 3-[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]-2-nitro-benzenecarboximidate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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