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

Systemtic Name: propan-2-yl (1E)-N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-nitro-benzenecarboximidate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-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 isopropyl ester Formula: C22H20BrN5O5 MolecularWeight: 514.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)N=C(C2=CC=CC=C2[N+](=O)[O-])OC(C)C)OC3=NC=C(C=N3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)/N=C(\C2=CC=CC=C2[N+](=O)[O-])/OC(C)C)OC3=NC=C(C=N3)Br

InChI

InChI=1S/C22H20BrN5O5/c1-13(2)32-20(17-6-4-5-7-18(17)28(30)31)27-21(29)26-16-8-9-19(14(3)10-16)33-22-24-11-15(23)12-25-22/h4-13H,1-3H3,(H,26,29)/b27-20+