[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H14ClNO5 MolecularWeight: 371.77116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C19H14ClNO5/c1-10(17(22)13-8-21-15-5-3-2-4-12(13)15)26-19(23)11-6-14(20)18-16(7-11)24-9-25-18/h2-8,10,21H,9H2,1H3