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

Systemtic Name: N7-[(2,5-dimethoxyphenyl)methyl]-N5,N5-dimethyl-4-nitro-N7-prop-2-enyl-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-allyl-N7-[(2,5-dimethoxyphenyl)methyl]-N5,N5-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-[(2,5-dimethoxyphenyl)methyl]-N5,N5-dimethyl-4-nitro-N7-prop-2-enyl-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-[(2,5-dimethoxyphenyl)methyl]-5-N,5-N-dimethyl-4-nitro-7-N-prop-2-enyl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: allyl-(2,5-dimethoxybenzyl)-[6-(dimethylamino)-7-nitro-benzofurazan-4-yl]amine Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C2=NON=C2C(=C1)N(CC=C)CC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C2=NON=C2C(=C1)N(CC=C)CC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O5/c1-6-9-24(12-13-10-14(28-4)7-8-17(13)29-5)15-11-16(23(2)3)20(25(26)27)19-18(15)21-30-22-19/h6-8,10-11H,1,9,12H2,2-5H3