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

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholinoethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-N-[2-(4-morpholinyl)ethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: (2,5-dimethoxybenzyl)-(2-morpholinoethyl)-(7-nitrobenzofurazan-4-yl)amine Formula: C21H25N5O6 MolecularWeight: 443.4531

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN(CCN2CCOCC2)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN(CCN2CCOCC2)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O6/c1-29-16-3-6-19(30-2)15(13-16)14-25(8-7-24-9-11-31-12-10-24)17-4-5-18(26(27)28)21-20(17)22-32-23-21/h3-6,13H,7-12,14H2,1-2H3