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

Systemtic Name: 6-[2-[[(4-carboxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-7-chloranyl-2-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-[2-[[(4-carboxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-7-chloro-2-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-[2-[[[(4-carboxyanilino)-oxomethyl]amino]methyl]-1-pyrrolyl]-7-chloro-2-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-[2-[[(4-carboxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-7-chloro-2-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-[2-[[(4-carboxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-7-chloro-2-keto-1H-quinoline-3-carboxylic acid Formula: C23H17ClN4O6 MolecularWeight: 480.85728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)CNC(=O)NC2=CC=C(C=C2)C(=O)O)C3=C(C=C4C(=C3)C=C(C(=O)N4)C(=O)O)Cl

Isomeric SMILES

C1=CN(C(=C1)CNC(=O)NC2=CC=C(C=C2)C(=O)O)C3=C(C=C4C(=C3)C=C(C(=O)N4)C(=O)O)Cl

InChI

InChI=1S/C23H17ClN4O6/c24-17-10-18-13(8-16(22(32)33)20(29)27-18)9-19(17)28-7-1-2-15(28)11-25-23(34)26-14-5-3-12(4-6-14)21(30)31/h1-10H,11H2,(H,27,29)(H,30,31)(H,32,33)(H2,25,26,34)