methyl 7-butyl-3,8-dimethoxy-9-oxidanyl-2,5,10-tris(oxidanylidene)-1H-benzo[g]quinoline-4-carboxylate

Systemtic Name: methyl 7-butyl-3,8-dimethoxy-9-oxidanyl-2,5,10-tris(oxidanylidene)-1H-benzo[g]quinoline-4-carboxylate Openeye Name: methyl 7-butyl-9-hydroxy-3,8-dimethoxy-2,5,10-trioxo-1H-benzo[g]quinoline-4-carboxylate CAS Name: 7-butyl-9-hydroxy-3,8-dimethoxy-2,5,10-trioxo-1H-benzo[g]quinoline-4-carboxylic acid methyl ester IUPAC Name: methyl 7-butyl-9-hydroxy-3,8-dimethoxy-2,5,10-trioxo-1H-benzo[g]quinoline-4-carboxylate Traditional Name: 7-butyl-9-hydroxy-2,5,10-triketo-3,8-dimethoxy-1H-benzo[g]quinoline-4-carboxylic acid methyl ester Formula: C21H21NO8 MolecularWeight: 415.39334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)NC(=O)C(=C3C(=O)OC)OC)O)OC

Isomeric SMILES

CCCCC1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)NC(=O)C(=C3C(=O)OC)OC)O)OC

InChI

InChI=1S/C21H21NO8/c1-5-6-7-9-8-10-11(17(25)18(9)28-2)16(24)14-12(15(10)23)13(21(27)30-4)19(29-3)20(26)22-14/h8,25H,5-7H2,1-4H3,(H,22,26)