ethyl 7-[4-methyl-3,5-bis(oxidanylidene)-2-(3-oxidanylidenenonyl)-1,2,4-triazolidin-1-yl]heptanoate

Systemtic Name: ethyl 7-[4-methyl-3,5-bis(oxidanylidene)-2-(3-oxidanylidenenonyl)-1,2,4-triazolidin-1-yl]heptanoate Openeye Name: ethyl 7-[4-methyl-3,5-dioxo-2-(3-oxononyl)-1,2,4-triazolidin-1-yl]heptanoate CAS Name: 7-[4-methyl-3,5-dioxo-2-(3-oxononyl)-1,2,4-triazolidin-1-yl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[4-methyl-3,5-dioxo-2-(3-oxononyl)-1,2,4-triazolidin-1-yl]heptanoate Traditional Name: 7-[3,5-diketo-2-(3-ketononyl)-4-methyl-1,2,4-triazolidin-1-yl]enanthic acid ethyl ester Formula: C21H37N3O5 MolecularWeight: 411.53558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CCN1C(=O)N(C(=O)N1CCCCCCC(=O)OCC)C

Isomeric SMILES

CCCCCCC(=O)CCN1C(=O)N(C(=O)N1CCCCCCC(=O)OCC)C

InChI

InChI=1S/C21H37N3O5/c1-4-6-7-10-13-18(25)15-17-24-21(28)22(3)20(27)23(24)16-12-9-8-11-14-19(26)29-5-2/h4-17H2,1-3H3