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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN(CC=C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1OC)CN(CC=C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCOCC4

InChI

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