1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(7-chloro-1,3-benzodioxole-5-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(7-chloro-1,3-benzodioxole-5-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(7-chloropiperonyloyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C18H14ClNO5 MolecularWeight: 359.76046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)C3=CC4=C(C(=C3)Cl)OCO4)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)C3=CC4=C(C(=C3)Cl)OCO4)C(=O)O

InChI

InChI=1S/C18H14ClNO5/c19-13-7-10(8-15-16(13)25-9-24-15)17(21)20-6-2-4-11-12(18(22)23)3-1-5-14(11)20/h1,3,5,7-8H,2,4,6,9H2,(H,22,23)