N-[(3,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-nitro-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(3-morpholinopropyl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-morpholinyl)propyl]-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: 3-morpholinopropyl-(7-nitrobenzofurazan-4-yl)-veratryl-amine Formula: C22H27N5O6 MolecularWeight: 457.47968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCCN2CCOCC2)C3=CC=C(C4=NON=C34)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCCN2CCOCC2)C3=CC=C(C4=NON=C34)[N+](=O)[O-])OC

InChI

InChI=1S/C22H27N5O6/c1-30-19-7-4-16(14-20(19)31-2)15-26(9-3-8-25-10-12-32-13-11-25)17-5-6-18(27(28)29)22-21(17)23-33-24-22/h4-7,14H,3,8-13,15H2,1-2H3