2-bromanylethanoic acid; 2,3-dimethoxy-12-methyl-3H-[1,3]benzodioxolo[5,6-c]phenanthridine

Systemtic Name: 2-bromanylethanoic acid; 2,3-dimethoxy-12-methyl-3H-[1,3]benzodioxolo[5,6-c]phenanthridine Openeye Name: 2-bromoacetic acid; 2,3-dimethoxy-12-methyl-3H-[1,3]benzodioxolo[5,6-c]phenanthridine CAS Name: 2-bromoacetic acid; 2,3-dimethoxy-12-methyl-3H-[1,3]benzodioxolo[5,6-c]phenanthridine IUPAC Name: 2-bromoacetic acid; 2,3-dimethoxy-12-methyl-3H-[1,3]benzodioxolo[5,6-c]phenanthridine Traditional Name: 2-bromoacetic acid; 2,3-dimethoxy-12-methyl-3H-[1,3]benzodioxolo[5,6-c]phenanthridine Formula: C23H22BrNO6 MolecularWeight: 488.32788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C=C(C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC.C(C(=O)O)Br

Isomeric SMILES

CN1C=C2C=C(C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC.C(C(=O)O)Br

InChI

InChI=1S/C21H19NO4.C2H3BrO2/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22;3-1-2(4)5/h4-10,18H,11H2,1-3H3;1H2,(H,4,5)