[4-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]phenyl]methylphosphonic acid

Systemtic Name: [4-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]phenyl]methylphosphonic acid Openeye Name: [4-[[3-[(3-aminobenzoyl)amino]-4-methyl-benzoyl]amino]phenyl]methylphosphonic acid CAS Name: [4-[[[3-[[(3-aminophenyl)-oxomethyl]amino]-4-methylphenyl]-oxomethyl]amino]phenyl]methylphosphonic acid IUPAC Name: [4-[[3-[(3-aminobenzoyl)amino]-4-methylbenzoyl]amino]phenyl]methylphosphonic acid Traditional Name: [4-[[3-[(3-aminobenzoyl)amino]-4-methyl-benzoyl]amino]benzyl]phosphonic acid Formula: C22H22N3O5P MolecularWeight: 439.400941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CP(=O)(O)O)NC(=O)C3=CC(=CC=C3)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CP(=O)(O)O)NC(=O)C3=CC(=CC=C3)N

InChI

InChI=1S/C22H22N3O5P/c1-14-5-8-17(12-20(14)25-22(27)16-3-2-4-18(23)11-16)21(26)24-19-9-6-15(7-10-19)13-31(28,29)30/h2-12H,13,23H2,1H3,(H,24,26)(H,25,27)(H2,28,29,30)