N-(4-bromanyl-2-diethoxyphosphoryl-phenyl)-4-butoxy-benzamide

Systemtic Name: N-(4-bromanyl-2-diethoxyphosphoryl-phenyl)-4-butoxy-benzamide Openeye Name: N-(4-bromo-2-diethoxyphosphoryl-phenyl)-4-butoxy-benzamide CAS Name: N-(4-bromo-2-diethoxyphosphorylphenyl)-4-butoxybenzamide IUPAC Name: N-(4-bromo-2-diethoxyphosphorylphenyl)-4-butoxybenzamide Traditional Name: N-(4-bromo-2-diethoxyphosphoryl-phenyl)-4-butoxy-benzamide Formula: C21H27BrNO5P MolecularWeight: 484.320541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)P(=O)(OCC)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)P(=O)(OCC)OCC

InChI

InChI=1S/C21H27BrNO5P/c1-4-7-14-26-18-11-8-16(9-12-18)21(24)23-19-13-10-17(22)15-20(19)29(25,27-5-2)28-6-3/h8-13,15H,4-7,14H2,1-3H3,(H,23,24)