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

Systemtic Name: 7-[3-[[(3-carboxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-6-chloranyl-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 7-[3-[[(3-carboxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-6-chloro-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 7-[3-[[[(3-carboxyanilino)-oxomethyl]amino]methyl]-1-pyrrolyl]-6-chloro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 7-[3-[[(3-carboxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-6-chloro-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 7-[3-[[(3-carboxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-6-chloro-3-keto-4H-quinoxaline-2-carboxylic acid Formula: C22H16ClN5O6 MolecularWeight: 481.84534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NCC2=CN(C=C2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NCC2=CN(C=C2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)Cl)C(=O)O

InChI

InChI=1S/C22H16ClN5O6/c23-14-7-15-16(26-18(21(32)33)19(29)27-15)8-17(14)28-5-4-11(10-28)9-24-22(34)25-13-3-1-2-12(6-13)20(30)31/h1-8,10H,9H2,(H,27,29)(H,30,31)(H,32,33)(H2,24,25,34)