sodium [2-(methoxycarbonylamino)-5-(phenylcarbonyl)benzimidazol-1-yl]methyl phosphate

Systemtic Name: sodium [2-(methoxycarbonylamino)-5-(phenylcarbonyl)benzimidazol-1-yl]methyl phosphate Openeye Name: sodium [5-benzoyl-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate CAS Name: sodium [5-benzoyl-2-(methoxycarbonylamino)-1-benzimidazolyl]methyl phosphate IUPAC Name: sodium [5-benzoyl-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate Traditional Name: sodium [5-benzoyl-2-(carbomethoxyamino)benzimidazol-1-yl]methyl phosphate Formula: C17H14N3NaO7P- MolecularWeight: 426.272491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1COP(=O)([O-])[O-])C=CC(=C2)C(=O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

COC(=O)NC1=NC2=C(N1COP(=O)([O-])[O-])C=CC(=C2)C(=O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C17H16N3O7P.Na/c1-26-17(22)19-16-18-13-9-12(15(21)11-5-3-2-4-6-11)7-8-14(13)20(16)10-27-28(23,24)25;/h2-9H,10H2,1H3,(H,18,19,22)(H2,23,24,25);/q;+1/p-2