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

Systemtic Name: N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]-dodecanoyl-carbamoyl]-2-nitro-benzamide Openeye Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-dodecanoyl-carbamoyl]-2-nitro-benzamide CAS Name: N-[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-methyl-N-(1-oxododecyl)anilino]-oxomethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]-dodecanoylcarbamoyl]-2-nitrobenzamide Traditional Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-lauroyl-carbamoyl]-2-nitro-benzamide Formula: C31H36BrN5O6 MolecularWeight: 654.55144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=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

CCCCCCCCCCCC(=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/C31H36BrN5O6/c1-3-4-5-6-7-8-9-10-11-16-28(38)36(31(40)35-29(39)25-14-12-13-15-26(25)37(41)42)24-17-18-27(22(2)19-24)43-30-33-20-23(32)21-34-30/h12-15,17-21H,3-11,16H2,1-2H3,(H,35,39,40)