N7-[(2,3-dimethoxyphenyl)methyl]-4-nitro-N7-prop-2-enyl-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: N7-[(2,3-dimethoxyphenyl)methyl]-4-nitro-N7-prop-2-enyl-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-allyl-N7-[(2,3-dimethoxyphenyl)methyl]-4-nitro-N5-(2-pyridyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-[(2,3-dimethoxyphenyl)methyl]-4-nitro-N7-prop-2-enyl-N5-(2-pyridinyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-[(2,3-dimethoxyphenyl)methyl]-4-nitro-7-N-prop-2-enyl-5-N-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: allyl-[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]-o-veratryl-amine Formula: C23H22N6O5 MolecularWeight: 462.45798

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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-])NC4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1OC)CN(CC=C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

InChI

InChI=1S/C23H22N6O5/c1-4-12-28(14-15-8-7-9-18(32-2)23(15)33-3)17-13-16(25-19-10-5-6-11-24-19)22(29(30)31)21-20(17)26-34-27-21/h4-11,13H,1,12,14H2,2-3H3,(H,24,25)