[4-[2,3-bis(methylamino)-3-oxidanylidene-propyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[2,3-bis(methylamino)-3-oxidanylidene-propyl]phenyl]methylphosphonic acid Openeye Name: [4-[2,3-bis(methylamino)-3-oxo-propyl]phenyl]methylphosphonic acid CAS Name: [4-[2,3-bis(methylamino)-3-oxopropyl]phenyl]methylphosphonic acid IUPAC Name: [4-[2,3-bis(methylamino)-3-oxopropyl]phenyl]methylphosphonic acid Traditional Name: [4-[3-keto-2,3-bis(methylamino)propyl]benzyl]phosphonic acid Formula: C12H19N2O4P MolecularWeight: 286.264021

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CC=C(C=C1)CP(=O)(O)O)C(=O)NC

Isomeric SMILES

CNC(CC1=CC=C(C=C1)CP(=O)(O)O)C(=O)NC

InChI

InChI=1S/C12H19N2O4P/c1-13-11(12(15)14-2)7-9-3-5-10(6-4-9)8-19(16,17)18/h3-6,11,13H,7-8H2,1-2H3,(H,14,15)(H2,16,17,18)