[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylamino]phosphonic acid

Systemtic Name: [[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylamino]phosphonic acid Openeye Name: [[1-(4-iodophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]phosphonic acid CAS Name: [[[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]amino]phosphonic acid IUPAC Name: [[1-(4-iodophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phosphonic acid Traditional Name: [[1-(4-iodophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]phosphonic acid Formula: C13H14IN2O4P MolecularWeight: 420.139491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C(=O)NP(=O)(O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C(=O)NP(=O)(O)O

InChI

InChI=1S/C13H14IN2O4P/c1-8-7-12(13(17)15-21(18,19)20)9(2)16(8)11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H3,15,17,18,19,20)