(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrobenzo[a]phenanthridin-4-one

Systemtic Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrobenzo[a]phenanthridin-4-one Openeye Name: (3E)-3-(1,3-benzodioxol-5-ylmethylene)-1,2-dihydrobenzo[a]phenanthridin-4-one CAS Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrobenzo[a]phenanthridin-4-one IUPAC Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrobenzo[a]phenanthridin-4-one Traditional Name: (3E)-3-piperonylidene-1,2-dihydrobenzo[a]phenanthridin-4-one Formula: C25H17NO3 MolecularWeight: 379.40738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C3C(=NC=C2C(=O)C1=CC4=CC5=C(C=C4)OCO5)C=CC6=CC=CC=C63

Isomeric SMILES

C\1CC2=C3C(=NC=C2C(=O)/C1=C/C4=CC5=C(C=C4)OCO5)C=CC6=CC=CC=C63

InChI

InChI=1S/C25H17NO3/c27-25-17(11-15-5-10-22-23(12-15)29-14-28-22)6-8-19-20(25)13-26-21-9-7-16-3-1-2-4-18(16)24(19)21/h1-5,7,9-13H,6,8,14H2/b17-11+