sodium 2-chloranyl-5-(1,2,3,4-tetrahydroquinoxalin-6-ylcarbonylcarbamoylamino)benzoate

Systemtic Name: sodium 2-chloranyl-5-(1,2,3,4-tetrahydroquinoxalin-6-ylcarbonylcarbamoylamino)benzoate Openeye Name: sodium 2-chloro-5-(1,2,3,4-tetrahydroquinoxaline-6-carbonylcarbamoylamino)benzoate CAS Name: sodium 2-chloro-5-[[oxo-[[oxo(1,2,3,4-tetrahydroquinoxalin-6-yl)methyl]amino]methyl]amino]benzoate IUPAC Name: sodium 2-chloro-5-(1,2,3,4-tetrahydroquinoxaline-6-carbonylcarbamoylamino)benzoate Traditional Name: sodium 2-chloro-5-(1,2,3,4-tetrahydroquinoxaline-6-carbonylcarbamoylamino)benzoate Formula: C17H14ClN4NaO4 MolecularWeight: 396.76023

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=C(N1)C=CC(=C2)C(=O)NC(=O)NC3=CC(=C(C=C3)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

C1CNC2=C(N1)C=CC(=C2)C(=O)NC(=O)NC3=CC(=C(C=C3)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H15ClN4O4.Na/c18-12-3-2-10(8-11(12)16(24)25)21-17(26)22-15(23)9-1-4-13-14(7-9)20-6-5-19-13;/h1-4,7-8,19-20H,5-6H2,(H,24,25)(H2,21,22,23,26);/q;+1/p-1