2-(1,3-benzodioxol-5-yl)-7-chloranyl-8-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-7-chloranyl-8-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-7-chloro-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-7-chloro-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-7-chloro-8-methyl-cinchoninic acid Formula: C18H12ClNO4 MolecularWeight: 341.74518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)O)C3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)O)C3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C18H12ClNO4/c1-9-13(19)4-3-11-12(18(21)22)7-14(20-17(9)11)10-2-5-15-16(6-10)24-8-23-15/h2-7H,8H2,1H3,(H,21,22)