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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN(CCCN2CCOCC2)C3=C(C4=NON=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)CN(CCCN2CCOCC2)C3=C(C4=NON=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O6/c1-30-19-6-3-5-16(22(19)31-2)15-26(10-4-9-25-11-13-32-14-12-25)18-8-7-17-20(24-33-23-17)21(18)27(28)29/h3,5-8H,4,9-15H2,1-2H3