N7-[4-(furan-2-yl)butan-2-yl]-N7-methyl-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: N7-[4-(furan-2-yl)butan-2-yl]-N7-methyl-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N5-benzyl-N7-[3-(2-furyl)-1-methyl-propyl]-N7-methyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-[4-(2-furanyl)butan-2-yl]-N7-methyl-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N-benzyl-7-N-[4-(furan-2-yl)butan-2-yl]-7-N-methyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: [6-(benzylamino)-7-nitro-benzofurazan-4-yl]-[3-(2-furyl)-1-methyl-propyl]-methyl-amine Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CO1)N(C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CC(CCC1=CC=CO1)N(C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O4/c1-15(10-11-17-9-6-12-30-17)26(2)19-13-18(23-14-16-7-4-3-5-8-16)22(27(28)29)21-20(19)24-31-25-21/h3-9,12-13,15,23H,10-11,14H2,1-2H3