methyl 2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(7-chloro-1,3-benzodioxole-5-carbonyl)oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(7-chloro-1,3-benzodioxole-5-carbonyl)oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[(7-chloropiperonyloyl)oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H16ClNO6 MolecularWeight: 413.80784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC4=C(C(=C3)Cl)OCO4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC4=C(C(=C3)Cl)OCO4)C(=O)OC

InChI

InChI=1S/C21H16ClNO6/c1-11-13-5-3-4-6-15(13)23-16(18(11)21(25)26-2)9-27-20(24)12-7-14(22)19-17(8-12)28-10-29-19/h3-8H,9-10H2,1-2H3