[2-[acetamido(cyano)methyl]phenyl]methylphosphonic acid

Systemtic Name: [2-[acetamido(cyano)methyl]phenyl]methylphosphonic acid Openeye Name: [2-[acetamido(cyano)methyl]phenyl]methylphosphonic acid CAS Name: [2-[acetamido(cyano)methyl]phenyl]methylphosphonic acid IUPAC Name: [2-[acetamido(cyano)methyl]phenyl]methylphosphonic acid Traditional Name: [2-[acetamido(cyano)methyl]benzyl]phosphonic acid Formula: C11H13N2O4P MolecularWeight: 268.205681

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C#N)C1=CC=CC=C1CP(=O)(O)O

Isomeric SMILES

CC(=O)NC(C#N)C1=CC=CC=C1CP(=O)(O)O

InChI

InChI=1S/C11H13N2O4P/c1-8(14)13-11(6-12)10-5-3-2-4-9(10)7-18(15,16)17/h2-5,11H,7H2,1H3,(H,13,14)(H2,15,16,17)