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

Systemtic Name: N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]-undecanoyl-carbamoyl]-2-nitro-benzamide Openeye Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-undecanoyl-carbamoyl]-2-nitro-benzamide CAS Name: N-[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-methyl-N-(1-oxoundecyl)anilino]-oxomethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]-undecanoylcarbamoyl]-2-nitrobenzamide Traditional Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-undecanoyl-carbamoyl]-2-nitro-benzamide Formula: C30H34BrN5O6 MolecularWeight: 640.52486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34BrN5O6/c1-3-4-5-6-7-8-9-10-15-27(37)35(30(39)34-28(38)24-13-11-12-14-25(24)36(40)41)23-16-17-26(21(2)18-23)42-29-32-19-22(31)20-33-29/h11-14,16-20H,3-10,15H2,1-2H3,(H,34,38,39)