9-methoxy-6-[2-methoxycarbonyl-2,4-dimethyl-3,5-bis(oxidanylidene)heptyl]phenazine-1-carboxylic acid

Systemtic Name: 9-methoxy-6-[2-methoxycarbonyl-2,4-dimethyl-3,5-bis(oxidanylidene)heptyl]phenazine-1-carboxylic acid Openeye Name: 9-methoxy-6-(2-methoxycarbonyl-2,4-dimethyl-3,5-dioxo-heptyl)phenazine-1-carboxylic acid CAS Name: 9-methoxy-6-(2-methoxycarbonyl-2,4-dimethyl-3,5-dioxoheptyl)-1-phenazinecarboxylic acid IUPAC Name: 9-methoxy-6-(2-methoxycarbonyl-2,4-dimethyl-3,5-dioxoheptyl)phenazine-1-carboxylic acid Traditional Name: 6-(2-carbomethoxy-3,5-diketo-2,4-dimethyl-heptyl)-9-methoxy-phenazine-1-carboxylic acid Formula: C25H26N2O7 MolecularWeight: 466.48314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)C(=O)C(C)(CC1=CC=C(C2=NC3=C(C=CC=C3N=C12)C(=O)O)OC)C(=O)OC

Isomeric SMILES

CCC(=O)C(C)C(=O)C(C)(CC1=CC=C(C2=NC3=C(C=CC=C3N=C12)C(=O)O)OC)C(=O)OC

InChI

InChI=1S/C25H26N2O7/c1-6-17(28)13(2)22(29)25(3,24(32)34-5)12-14-10-11-18(33-4)21-19(14)26-16-9-7-8-15(23(30)31)20(16)27-21/h7-11,13H,6,12H2,1-5H3,(H,30,31)