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

Systemtic Name: 1-[[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione Openeye Name: 1-[[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione CAS Name: 1-[[5-(1-azepanyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione IUPAC Name: 1-[[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione Traditional Name: 1-[[6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]amino]-9,10-anthraquinone Formula: C26H21N5O5 MolecularWeight: 483.47544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O)[N+](=O)[O-]

InChI

InChI=1S/C26H21N5O5/c32-25-15-8-3-4-9-16(15)26(33)21-17(25)10-7-11-18(21)27-19-14-20(30-12-5-1-2-6-13-30)24(31(34)35)23-22(19)28-36-29-23/h3-4,7-11,14,27H,1-2,5-6,12-13H2