N-methyl-5-phenyl-6-(propan-2-ylcarbamoyl)cyclopenta[f][1,3]benzodioxol-7-imine oxide

Systemtic Name: N-methyl-5-phenyl-6-(propan-2-ylcarbamoyl)cyclopenta[f][1,3]benzodioxol-7-imine oxide Openeye Name: 6-(isopropylcarbamoyl)-N-methyl-5-phenyl-cyclopenta[f][1,3]benzodioxol-7-imine oxide CAS Name: N-methyl-6-[oxo-(propan-2-ylamino)methyl]-5-phenyl-7-cyclopenta[f][1,3]benzodioxolimine oxide IUPAC Name: N-methyl-5-phenyl-6-(propan-2-ylcarbamoyl)cyclopenta[f][1,3]benzodioxol-7-imine oxide Traditional Name: 6-(isopropylcarbamoyl)-N-methyl-5-phenyl-cyclopenta[f][1,3]benzodioxol-7-imine oxide Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C2=CC3=C(C=C2C1=[N+](C)[O-])OCO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C\1=C(C2=CC3=C(C=C2/C1=[N+](/C)\[O-])OCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O4/c1-12(2)22-21(24)19-18(13-7-5-4-6-8-13)14-9-16-17(27-11-26-16)10-15(14)20(19)23(3)25/h4-10,12H,11H2,1-3H3,(H,22,24)/b23-20+