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

Systemtic Name: N-[[4-(5-chloranylpyrimidin-2-yl)oxy-3-methyl-phenyl]-heptanoyl-carbamoyl]-2-nitro-benzamide Openeye Name: N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methyl-phenyl]-heptanoyl-carbamoyl]-2-nitro-benzamide CAS Name: N-[[4-[(5-chloro-2-pyrimidinyl)oxy]-3-methyl-N-(1-oxoheptyl)anilino]-oxomethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]-heptanoylcarbamoyl]-2-nitrobenzamide Traditional Name: N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methyl-phenyl]-enanthyl-carbamoyl]-2-nitro-benzamide Formula: C26H26ClN5O6 MolecularWeight: 539.96754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N(C1=CC(=C(C=C1)OC2=NC=C(C=N2)Cl)C)C(=O)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(=O)N(C1=CC(=C(C=C1)OC2=NC=C(C=N2)Cl)C)C(=O)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C26H26ClN5O6/c1-3-4-5-6-11-23(33)31(26(35)30-24(34)20-9-7-8-10-21(20)32(36)37)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,30,34,35)