sodium 4-(quinoxalin-6-ylcarbonylcarbamoylamino)benzoate

Systemtic Name: sodium 4-(quinoxalin-6-ylcarbonylcarbamoylamino)benzoate Openeye Name: sodium 4-(quinoxaline-6-carbonylcarbamoylamino)benzoate CAS Name: sodium 4-[[oxo-[[oxo(6-quinoxalinyl)methyl]amino]methyl]amino]benzoate IUPAC Name: sodium 4-(quinoxaline-6-carbonylcarbamoylamino)benzoate Traditional Name: sodium 4-(quinoxaline-6-carbonylcarbamoylamino)benzoate Formula: C17H11N4NaO4 MolecularWeight: 358.28341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=O)NC(=O)C2=CC3=NC=CN=C3C=C2.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=O)NC(=O)C2=CC3=NC=CN=C3C=C2.[Na+]

InChI

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