ethanoic acid; 2,3,13-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine

Systemtic Name: ethanoic acid; 2,3,13-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine Openeye Name: acetic acid; 2,3,13-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine CAS Name: acetic acid; 2,3,13-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine IUPAC Name: acetic acid; 2,3,13-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine Traditional Name: acetic acid; 2,3,13-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine Formula: C24H25NO7 MolecularWeight: 439.4578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CN1C(C2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC)OC

Isomeric SMILES

CC(=O)O.CN1C(C2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC)OC

InChI

InChI=1S/C22H21NO5.C2H4O2/c1-23-21-13(6-5-12-7-19-20(8-14(12)21)28-11-27-19)15-9-17(24-2)18(25-3)10-16(15)22(23)26-4;1-2(3)4/h5-10,22H,11H2,1-4H3;1H3,(H,3,4)