sodium 3-(quinoxalin-6-ylcarbonylcarbamoylamino)benzoate

Systemtic Name: sodium 3-(quinoxalin-6-ylcarbonylcarbamoylamino)benzoate Openeye Name: sodium 3-(quinoxaline-6-carbonylcarbamoylamino)benzoate CAS Name: sodium 3-[[oxo-[[oxo(6-quinoxalinyl)methyl]amino]methyl]amino]benzoate IUPAC Name: sodium 3-(quinoxaline-6-carbonylcarbamoylamino)benzoate Traditional Name: sodium 3-(quinoxaline-6-carbonylcarbamoylamino)benzoate Formula: C17H11N4NaO4 MolecularWeight: 358.28341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC(=O)C2=CC3=NC=CN=C3C=C2)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC(=O)C2=CC3=NC=CN=C3C=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H12N4O4.Na/c22-15(10-4-5-13-14(9-10)19-7-6-18-13)21-17(25)20-12-3-1-2-11(8-12)16(23)24;/h1-9H,(H,23,24)(H2,20,21,22,25);/q;+1/p-1