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

Systemtic Name: 3-[[7-(1,3-benzodioxol-5-ylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-(1,3-benzodioxol-5-ylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-(1,3-benzodioxol-5-ylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-(1,3-benzodioxol-5-ylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[7-(1,3-benzodioxol-5-ylamino)-4-nitro-benzofurazan-5-yl]amino]propan-1-ol Formula: C16H15N5O6 MolecularWeight: 373.3202

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C16H15N5O6/c22-5-1-4-17-11-7-10(14-15(20-27-19-14)16(11)21(23)24)18-9-2-3-12-13(6-9)26-8-25-12/h2-3,6-7,17-18,22H,1,4-5,8H2