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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-nitro-N-prop-2-enyl-2,1,3-benzoxadiazol-7-amine Openeye Name: N-allyl-N-[(3,4-dimethoxyphenyl)methyl]-5-morpholino-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-5-(4-morpholinyl)-4-nitro-N-prop-2-enyl-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-nitro-N-prop-2-enyl-2,1,3-benzoxadiazol-7-amine Traditional Name: allyl-(6-morpholino-7-nitro-benzofurazan-4-yl)-veratryl-amine Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC=C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC=C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCOCC4)OC

InChI

InChI=1S/C22H25N5O6/c1-4-7-26(14-15-5-6-18(30-2)19(12-15)31-3)16-13-17(25-8-10-32-11-9-25)22(27(28)29)21-20(16)23-33-24-21/h4-6,12-13H,1,7-11,14H2,2-3H3