2-[5-methoxy-4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitro-phenyl]-4,4-dimethyl-7-nitro-isoquinoline-1,3-dione

Systemtic Name: 2-[5-methoxy-4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitro-phenyl]-4,4-dimethyl-7-nitro-isoquinoline-1,3-dione Openeye Name: 2-[5-methoxy-4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitro-phenyl]-4,4-dimethyl-7-nitro-isoquinoline-1,3-dione CAS Name: 2-[5-methoxy-4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenyl]-4,4-dimethyl-7-nitroisoquinoline-1,3-dione IUPAC Name: 2-[5-methoxy-4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenyl]-4,4-dimethyl-7-nitroisoquinoline-1,3-dione Traditional Name: 2-[5-methoxy-4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitro-phenyl]-4,4-dimethyl-7-nitro-isoquinoline-1,3-quinone Formula: C25H20N6O8 MolecularWeight: 532.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)C3=C(C=C(C(=C3)OC)C4=NC5=C(N4)C=CC(=N5)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)C3=C(C=C(C(=C3)OC)C4=NC5=C(N4)C=CC(=N5)OC)[N+](=O)[O-])C

InChI

InChI=1S/C25H20N6O8/c1-25(2)15-6-5-12(30(34)35)9-13(15)23(32)29(24(25)33)17-11-19(38-3)14(10-18(17)31(36)37)21-26-16-7-8-20(39-4)27-22(16)28-21/h5-11H,1-4H3,(H,26,27,28)