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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O)[N+](=O)[O-]

InChI

InChI=1S/C26H21N5O5/c1-14-9-11-30(12-10-14)20-13-19(22-23(29-36-28-22)24(20)31(34)35)27-18-8-4-7-17-21(18)26(33)16-6-3-2-5-15(16)25(17)32/h2-8,13-14,27H,9-12H2,1H3