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

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

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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-])NC4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC=C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4)OC

InChI

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