N-[1-(furan-2-yl)-3-methyl-but-3-enyl]-N-(4-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-[1-(furan-2-yl)-3-methyl-but-3-enyl]-N-(4-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: N-[1-(2-furyl)-3-methyl-but-3-enyl]-N-(4-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-[1-(2-furanyl)-3-methylbut-3-enyl]-N-(4-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-[1-(furan-2-yl)-3-methylbut-3-enyl]-N-(4-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: [1-(2-furyl)-3-methyl-but-3-enyl]-(4-methoxyphenyl)-(7-nitrobenzofurazan-4-yl)amine Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(C1=CC=CO1)N(C2=CC=C(C=C2)OC)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

Isomeric SMILES

CC(=C)CC(C1=CC=CO1)N(C2=CC=C(C=C2)OC)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O5/c1-14(2)13-19(20-5-4-12-30-20)25(15-6-8-16(29-3)9-7-15)17-10-11-18(26(27)28)22-21(17)23-31-24-22/h4-12,19H,1,13H2,2-3H3