sodium 4-(1,3-benzoxazol-6-ylcarbonylcarbamoylamino)-2-chloranyl-benzoate

Systemtic Name: sodium 4-(1,3-benzoxazol-6-ylcarbonylcarbamoylamino)-2-chloranyl-benzoate Openeye Name: sodium 4-(1,3-benzoxazole-6-carbonylcarbamoylamino)-2-chloro-benzoate CAS Name: sodium 4-[[[[1,3-benzoxazol-6-yl(oxo)methyl]amino]-oxomethyl]amino]-2-chlorobenzoate IUPAC Name: sodium 4-(1,3-benzoxazole-6-carbonylcarbamoylamino)-2-chlorobenzoate Traditional Name: sodium 4-(1,3-benzoxazole-6-carbonylcarbamoylamino)-2-chloro-benzoate Formula: C16H9ClN3NaO5 MolecularWeight: 381.70253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC(=O)NC3=CC(=C(C=C3)C(=O)[O-])Cl)OC=N2.[Na+]

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NC(=O)NC3=CC(=C(C=C3)C(=O)[O-])Cl)OC=N2.[Na+]

InChI

InChI=1S/C16H10ClN3O5.Na/c17-11-6-9(2-3-10(11)15(22)23)19-16(24)20-14(21)8-1-4-12-13(5-8)25-7-18-12;/h1-7H,(H,22,23)(H2,19,20,21,24);/q;+1/p-1