N-[(2,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-nitro-N-prop-2-enyl-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-nitro-N-prop-2-enyl-2,1,3-benzoxadiazol-7-amine Openeye Name: N-allyl-N-[(2,5-dimethoxyphenyl)methyl]-5-morpholino-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-5-(4-morpholinyl)-4-nitro-N-prop-2-enyl-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-nitro-N-prop-2-enyl-2,1,3-benzoxadiazol-7-amine Traditional Name: allyl-(2,5-dimethoxybenzyl)-(6-morpholino-7-nitro-benzofurazan-4-yl)amine Formula: C22H25N5O6 MolecularWeight: 455.4638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN(CC=C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN(CC=C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H25N5O6/c1-4-7-26(14-15-12-16(30-2)5-6-19(15)31-3)17-13-18(25-8-10-32-11-9-25)22(27(28)29)21-20(17)23-33-24-21/h4-6,12-13H,1,7-11,14H2,2-3H3