N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-N-heptanoyl-2-nitro-benzamide

Systemtic Name: N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-N-heptanoyl-2-nitro-benzamide Openeye Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-N-heptanoyl-2-nitro-benzamide CAS Name: N-[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-methylanilino]-oxomethyl]-2-nitro-N-(1-oxoheptyl)benzamide IUPAC Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-N-heptanoyl-2-nitrobenzamide Traditional Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-N-enanthyl-2-nitro-benzamide Formula: C26H26BrN5O6 MolecularWeight: 584.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N(C(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)C

Isomeric SMILES

CCCCCCC(=O)N(C(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)C

InChI

InChI=1S/C26H26BrN5O6/c1-3-4-5-6-11-23(33)31(24(34)20-9-7-8-10-21(20)32(36)37)26(35)30-19-12-13-22(17(2)14-19)38-25-28-15-18(27)16-29-25/h7-10,12-16H,3-6,11H2,1-2H3,(H,30,35)