[4-[(4-bromanyl-2-cyano-phenyl)carbamoyl]phenyl]methyl-ethoxy-phosphinic acid

Systemtic Name: [4-[(4-bromanyl-2-cyano-phenyl)carbamoyl]phenyl]methyl-ethoxy-phosphinic acid Openeye Name: [4-[(4-bromo-2-cyano-phenyl)carbamoyl]phenyl]methyl-ethoxy-phosphinic acid CAS Name: [4-[(4-bromo-2-cyanoanilino)-oxomethyl]phenyl]methyl-ethoxyphosphinic acid IUPAC Name: [4-[(4-bromo-2-cyanophenyl)carbamoyl]phenyl]methyl-ethoxyphosphinic acid Traditional Name: [4-[(4-bromo-2-cyano-phenyl)carbamoyl]benzyl]-ethoxy-phosphinic acid Formula: C17H16BrN2O4P MolecularWeight: 423.197701

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C#N)O

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C#N)O

InChI

InChI=1S/C17H16BrN2O4P/c1-2-24-25(22,23)11-12-3-5-13(6-4-12)17(21)20-16-8-7-15(18)9-14(16)10-19/h3-9H,2,11H2,1H3,(H,20,21)(H,22,23)