1-[3-[methyl-[3-[(4-nitro-7-oxidanyl-9-oxidanylidene-10H-acridin-1-yl)amino]propyl]amino]propylamino]-4-nitro-7-oxidanyl-10H-acridin-9-one

Systemtic Name: 1-[3-[methyl-[3-[(4-nitro-7-oxidanyl-9-oxidanylidene-10H-acridin-1-yl)amino]propyl]amino]propylamino]-4-nitro-7-oxidanyl-10H-acridin-9-one Openeye Name: 7-hydroxy-1-[3-[3-[(7-hydroxy-4-nitro-9-oxo-10H-acridin-1-yl)amino]propyl-methyl-amino]propylamino]-4-nitro-10H-acridin-9-one CAS Name: 7-hydroxy-1-[3-[3-[(7-hydroxy-4-nitro-9-oxo-10H-acridin-1-yl)amino]propyl-methylamino]propylamino]-4-nitro-10H-acridin-9-one IUPAC Name: 7-hydroxy-1-[3-[3-[(7-hydroxy-4-nitro-9-oxo-10H-acridin-1-yl)amino]propyl-methylamino]propylamino]-4-nitro-10H-acridin-9-one Traditional Name: 7-hydroxy-1-[3-[3-[(7-hydroxy-9-keto-4-nitro-10H-acridin-1-yl)amino]propyl-methyl-amino]propylamino]-4-nitro-10H-acridin-9-one Formula: C33H31N7O8 MolecularWeight: 653.64134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=C(C2=O)C=C(C=C3)O)CCCNC4=C5C(=C(C=C4)[N+](=O)[O-])NC6=C(C5=O)C=C(C=C6)O

Isomeric SMILES

CN(CCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=C(C2=O)C=C(C=C3)O)CCCNC4=C5C(=C(C=C4)[N+](=O)[O-])NC6=C(C5=O)C=C(C=C6)O

InChI

InChI=1S/C33H31N7O8/c1-38(14-2-12-34-24-8-10-26(39(45)46)30-28(24)32(43)20-16-18(41)4-6-22(20)36-30)15-3-13-35-25-9-11-27(40(47)48)31-29(25)33(44)21-17-19(42)5-7-23(21)37-31/h4-11,16-17,34-35,41-42H,2-3,12-15H2,1H3,(H,36,43)(H,37,44)