[3-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] cyclopropanecarboxylate

Systemtic Name: [3-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] cyclopropanecarboxylate Openeye Name: [3-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxo-prop-1-enyl]phenyl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [3-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [3-[(E)-2-cyano-3-keto-3-(piperonylamino)prop-1-enyl]phenyl] ester Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1C(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H18N2O5/c23-11-17(8-14-2-1-3-18(9-14)29-22(26)16-5-6-16)21(25)24-12-15-4-7-19-20(10-15)28-13-27-19/h1-4,7-10,16H,5-6,12-13H2,(H,24,25)/b17-8+