3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-6-nitro-2H-1,3-benzoxazin-4-one

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-6-nitro-2H-1,3-benzoxazin-4-one Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-6-nitro-2H-1,3-benzoxazin-4-one CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-6-nitro-2H-1,3-benzoxazin-4-one IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-6-nitro-2H-1,3-benzoxazin-4-one Traditional Name: 3-[3-[homoveratryl(methyl)amino]propyl]-6-nitro-2H-1,3-benzoxazin-4-one Formula: C22H27N3O6 MolecularWeight: 429.46628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1COC2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CCCN1COC2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27N3O6/c1-23(12-9-16-5-7-20(29-2)21(13-16)30-3)10-4-11-24-15-31-19-8-6-17(25(27)28)14-18(19)22(24)26/h5-8,13-14H,4,9-12,15H2,1-3H3