N-(3-azanylpropyl)-N'-(4-nitro-2,1,3-benzoxadiazol-7-yl)butane-1,4-diamine

Systemtic Name: N-(3-azanylpropyl)-N'-(4-nitro-2,1,3-benzoxadiazol-7-yl)butane-1,4-diamine Openeye Name: N-(3-aminopropyl)-N'-(4-nitro-2,1,3-benzoxadiazol-7-yl)butane-1,4-diamine CAS Name: N-(3-aminopropyl)-N'-(4-nitro-2,1,3-benzoxadiazol-7-yl)butane-1,4-diamine IUPAC Name: N-(3-aminopropyl)-N'-(4-nitro-2,1,3-benzoxadiazol-7-yl)butane-1,4-diamine Traditional Name: 3-aminopropyl-[4-[(7-nitrobenzofurazan-4-yl)amino]butyl]amine Formula: C13H20N6O3 MolecularWeight: 308.3363

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCCCCNCCCN

Isomeric SMILES

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCCCCNCCCN

InChI

InChI=1S/C13H20N6O3/c14-6-3-8-15-7-1-2-9-16-10-4-5-11(19(20)21)13-12(10)17-22-18-13/h4-5,15-16H,1-3,6-9,14H2