sodium [5-(4-fluorophenyl)carbonyl-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate

Systemtic Name: sodium [5-(4-fluorophenyl)carbonyl-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate Openeye Name: sodium [5-(4-fluorobenzoyl)-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate CAS Name: sodium [5-[(4-fluorophenyl)-oxomethyl]-2-(methoxycarbonylamino)-1-benzimidazolyl]methyl phosphate IUPAC Name: sodium [5-(4-fluorobenzoyl)-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate Traditional Name: sodium [2-(carbomethoxyamino)-5-(4-fluorobenzoyl)benzimidazol-1-yl]methyl phosphate Formula: C17H13FN3NaO7P- MolecularWeight: 444.262954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15FN3O7P.Na/c1-27-17(23)20-16-19-13-8-11(15(22)10-2-5-12(18)6-3-10)4-7-14(13)21(16)9-28-29(24,25)26;/h2-8H,9H2,1H3,(H,19,20,23)(H2,24,25,26);/q;+1/p-2