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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCN2CCOCC2)C3=C(C4=NON=C4C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCN2CCOCC2)C3=C(C4=NON=C4C=C3)[N+](=O)[O-])OC

InChI

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