[4-[[4-(phosphonocarbonylamino)phenyl]carbamoylamino]phenyl]carbamoylphosphonic acid

Systemtic Name: [4-[[4-(phosphonocarbonylamino)phenyl]carbamoylamino]phenyl]carbamoylphosphonic acid Openeye Name: [4-[[4-(phosphonocarbonylamino)phenyl]carbamoylamino]phenyl]carbamoylphosphonic acid CAS Name: [oxo-[4-[[oxo-[4-[[oxo(phosphono)methyl]amino]anilino]methyl]amino]anilino]methyl]phosphonic acid IUPAC Name: [4-[[4-(phosphonocarbonylamino)phenyl]carbamoylamino]phenyl]carbamoylphosphonic acid Traditional Name: [4-[[4-(phosphonocarbonylamino)phenyl]carbamoylamino]phenyl]carbamoylphosphonic acid Formula: C15H16N4O9P2 MolecularWeight: 458.256462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)NC(=O)P(=O)(O)O)NC(=O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)NC(=O)P(=O)(O)O)NC(=O)P(=O)(O)O

InChI

InChI=1S/C15H16N4O9P2/c20-13(16-9-1-5-11(6-2-9)18-14(21)29(23,24)25)17-10-3-7-12(8-4-10)19-15(22)30(26,27)28/h1-8H,(H,18,21)(H,19,22)(H2,16,17,20)(H2,23,24,25)(H2,26,27,28)