furan-2-yl-[4-[4-nitro-5-(3-oxidanylpropylamino)-2,1,3-benzoxadiazol-7-yl]piperazin-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[4-nitro-5-(3-oxidanylpropylamino)-2,1,3-benzoxadiazol-7-yl]piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperazin-1-yl]methanone CAS Name: 2-furanyl-[4-[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]-1-piperazinyl]methanone IUPAC Name: furan-2-yl-[4-[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperazin-1-yl]methanone Traditional Name: 2-furyl-[4-[6-(3-hydroxypropylamino)-7-nitro-benzofurazan-4-yl]piperazino]methanone Formula: C18H20N6O6 MolecularWeight: 416.388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO)C(=O)C4=CC=CO4

InChI

InChI=1S/C18H20N6O6/c25-9-2-4-19-12-11-13(15-16(21-30-20-15)17(12)24(27)28)22-5-7-23(8-6-22)18(26)14-3-1-10-29-14/h1,3,10-11,19,25H,2,4-9H2