7-[4-[[(4-carboxyphenyl)carbamoylamino]methyl]imidazol-1-yl]-6-chloranyl-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid

Systemtic Name: 7-[4-[[(4-carboxyphenyl)carbamoylamino]methyl]imidazol-1-yl]-6-chloranyl-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 7-[4-[[(4-carboxyphenyl)carbamoylamino]methyl]imidazol-1-yl]-6-chloro-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 7-[4-[[[(4-carboxyanilino)-oxomethyl]amino]methyl]-1-imidazolyl]-6-chloro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 7-[4-[[(4-carboxyphenyl)carbamoylamino]methyl]imidazol-1-yl]-6-chloro-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 7-[4-[[(4-carboxyphenyl)carbamoylamino]methyl]imidazol-1-yl]-6-chloro-3-keto-4H-quinoxaline-2-carboxylic acid Formula: C21H15ClN6O6 MolecularWeight: 482.8334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)NCC2=CN(C=N2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)NCC2=CN(C=N2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)Cl

InChI

InChI=1S/C21H15ClN6O6/c22-13-5-14-15(26-17(20(32)33)18(29)27-14)6-16(13)28-8-12(24-9-28)7-23-21(34)25-11-3-1-10(2-4-11)19(30)31/h1-6,8-9H,7H2,(H,27,29)(H,30,31)(H,32,33)(H2,23,25,34)