4-[1-(4-acetamidophenyl)-5-oxidanylidene-2H-pyrrol-4-yl]-7-chloranyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

Systemtic Name: 4-[1-(4-acetamidophenyl)-5-oxidanylidene-2H-pyrrol-4-yl]-7-chloranyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Openeye Name: 4-[1-(4-acetamidophenyl)-5-oxo-2H-pyrrol-4-yl]-7-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid CAS Name: 4-[1-(4-acetamidophenyl)-5-oxo-2H-pyrrol-4-yl]-7-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid IUPAC Name: 4-[1-(4-acetamidophenyl)-5-oxo-2H-pyrrol-4-yl]-7-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Traditional Name: 4-[1-(4-acetamidophenyl)-2-keto-3-pyrrolin-3-yl]-7-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2CC=C(C2=O)C3CC(NC4=C3C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2CC=C(C2=O)C3CC(NC4=C3C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C22H20ClN3O4/c1-12(27)24-14-3-5-15(6-4-14)26-9-8-17(21(26)28)18-11-20(22(29)30)25-19-10-13(23)2-7-16(18)19/h2-8,10,18,20,25H,9,11H2,1H3,(H,24,27)(H,29,30)