1-[[4-nitro-5-(3-oxidanylpropylamino)-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione

Systemtic Name: 1-[[4-nitro-5-(3-oxidanylpropylamino)-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione Openeye Name: 1-[[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione CAS Name: 1-[[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione IUPAC Name: 1-[[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione Traditional Name: 1-[[6-(3-hydroxypropylamino)-7-nitro-benzofurazan-4-yl]amino]-9,10-anthraquinone Formula: C23H17N5O6 MolecularWeight: 459.41098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC4=CC(=C(C5=NON=C45)[N+](=O)[O-])NCCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC4=CC(=C(C5=NON=C45)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C23H17N5O6/c29-10-4-9-24-17-11-16(19-20(27-34-26-19)21(17)28(32)33)25-15-8-3-7-14-18(15)23(31)13-6-2-1-5-12(13)22(14)30/h1-3,5-8,11,24-25,29H,4,9-10H2