2-azanyl-3-ethanoyl-6,7-dimethoxy-2-methyl-3-[2,3,6-tris(chloranyl)phenyl]-4H-quinoline-1-carboxylic acid

Systemtic Name: 2-azanyl-3-ethanoyl-6,7-dimethoxy-2-methyl-3-[2,3,6-tris(chloranyl)phenyl]-4H-quinoline-1-carboxylic acid Openeye Name: 3-acetyl-2-amino-6,7-dimethoxy-2-methyl-3-(2,3,6-trichlorophenyl)-4H-quinoline-1-carboxylic acid CAS Name: 3-acetyl-2-amino-6,7-dimethoxy-2-methyl-3-(2,3,6-trichlorophenyl)-4H-quinoline-1-carboxylic acid IUPAC Name: 3-acetyl-2-amino-6,7-dimethoxy-2-methyl-3-(2,3,6-trichlorophenyl)-4H-quinoline-1-carboxylic acid Traditional Name: 3-acetyl-2-amino-6,7-dimethoxy-2-methyl-3-(2,3,6-trichlorophenyl)-4H-quinoline-1-carboxylic acid Formula: C21H21Cl3N2O5 MolecularWeight: 487.76084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CC2=CC(=C(C=C2N(C1(C)N)C(=O)O)OC)OC)C3=C(C=CC(=C3Cl)Cl)Cl

Isomeric SMILES

CC(=O)C1(CC2=CC(=C(C=C2N(C1(C)N)C(=O)O)OC)OC)C3=C(C=CC(=C3Cl)Cl)Cl

InChI

InChI=1S/C21H21Cl3N2O5/c1-10(27)21(17-12(22)5-6-13(23)18(17)24)9-11-7-15(30-3)16(31-4)8-14(11)26(19(28)29)20(21,2)25/h5-8H,9,25H2,1-4H3,(H,28,29)