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

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC(=O)NCCC3=CNC4=CC=CC=C43)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC(=O)NCCC3=CNC4=CC=CC=C43)Cl

InChI

InChI=1S/C20H17ClN2O5/c21-15-7-13(8-17-19(15)28-11-27-17)20(25)26-10-18(24)22-6-5-12-9-23-16-4-2-1-3-14(12)16/h1-4,7-9,23H,5-6,10-11H2,(H,22,24)