1-(4-bromophenyl)-2,5-dimethyl-N-phosphonato-pyrrole-3-carboxamide

Systemtic Name: 1-(4-bromophenyl)-2,5-dimethyl-N-phosphonato-pyrrole-3-carboxamide Openeye Name: 1-(4-bromophenyl)-2,5-dimethyl-N-phosphonato-pyrrole-3-carboxamide CAS Name: 1-(4-bromophenyl)-2,5-dimethyl-N-phosphonato-3-pyrrolecarboxamide IUPAC Name: 1-(4-bromophenyl)-2,5-dimethyl-N-phosphonatopyrrole-3-carboxamide Traditional Name: 1-(4-bromophenyl)-2,5-dimethyl-N-phosphonato-pyrrole-3-carboxamide Formula: C13H12BrN2O4P-2 MolecularWeight: 371.123141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)NP(=O)([O-])[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)NP(=O)([O-])[O-]

InChI

InChI=1S/C13H14BrN2O4P/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)/p-2