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

Systemtic Name: 7-chloranyl-4-[5-oxidanylidene-1-(1H-pyrrol-3-yl)-2H-pyrrol-4-yl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Openeye Name: 7-chloro-4-[5-oxo-1-(1H-pyrrol-3-yl)-2H-pyrrol-4-yl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid CAS Name: 7-chloro-4-[5-oxo-1-(1H-pyrrol-3-yl)-2H-pyrrol-4-yl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid IUPAC Name: 7-chloro-4-[5-oxo-1-(1H-pyrrol-3-yl)-2H-pyrrol-4-yl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Traditional Name: 7-chloro-4-[2-keto-1-(1H-pyrrol-3-yl)-3-pyrrolin-3-yl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Formula: C18H16ClN3O3 MolecularWeight: 357.79094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(=O)N1C2=CNC=C2)C3CC(NC4=C3C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

C1C=C(C(=O)N1C2=CNC=C2)C3CC(NC4=C3C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C18H16ClN3O3/c19-10-1-2-12-14(8-16(18(24)25)21-15(12)7-10)13-4-6-22(17(13)23)11-3-5-20-9-11/h1-5,7,9,14,16,20-21H,6,8H2,(H,24,25)