3-[[4-nitro-7-(quinolin-6-ylamino)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol

Systemtic Name: 3-[[4-nitro-7-(quinolin-6-ylamino)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[4-nitro-7-(6-quinolylamino)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[4-nitro-7-(6-quinolinylamino)-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[4-nitro-7-(quinolin-6-ylamino)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[4-nitro-7-(6-quinolylamino)benzofurazan-5-yl]amino]propan-1-ol Formula: C18H16N6O4 MolecularWeight: 380.35744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)NC3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO)N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2)NC3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO)N=C1

InChI

InChI=1S/C18H16N6O4/c25-8-2-7-20-15-10-14(16-17(23-28-22-16)18(15)24(26)27)21-12-4-5-13-11(9-12)3-1-6-19-13/h1,3-6,9-10,20-21,25H,2,7-8H2