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

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-N-(3-morpholinopropyl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-N-[3-(4-morpholinyl)propyl]-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: (2,5-dimethoxybenzyl)-(3-morpholinopropyl)-(7-nitrobenzofurazan-4-yl)amine Formula: C22H27N5O6 MolecularWeight: 457.47968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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