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

Systemtic Name: 1-[[5-(2-hydroxyethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione Openeye Name: 1-[[5-(2-hydroxyethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione CAS Name: 1-[[5-(2-hydroxyethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione IUPAC Name: 1-[[5-(2-hydroxyethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione Traditional Name: 1-[[6-(2-hydroxyethylamino)-7-nitro-benzofurazan-4-yl]amino]-9,10-anthraquinone Formula: C22H15N5O6 MolecularWeight: 445.3844

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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-])NCCO

Isomeric SMILES

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

InChI

InChI=1S/C22H15N5O6/c28-9-8-23-16-10-15(18-19(26-33-25-18)20(16)27(31)32)24-14-7-3-6-13-17(14)22(30)12-5-2-1-4-11(12)21(13)29/h1-7,10,23-24,28H,8-9H2