2-cyano-3-[1-methyl-2,6-bis(oxidanylidene)cyclohexyl]propanoate; dicyclohexylazanium

Systemtic Name: 2-cyano-3-[1-methyl-2,6-bis(oxidanylidene)cyclohexyl]propanoate; dicyclohexylazanium Openeye Name: 2-cyano-3-(1-methyl-2,6-dioxo-cyclohexyl)propanoate; dicyclohexylammonium CAS Name: 2-cyano-3-(1-methyl-2,6-dioxocyclohexyl)propanoate; dicyclohexylammonium IUPAC Name: 2-cyano-3-(1-methyl-2,6-dioxocyclohexyl)propanoate; dicyclohexylazanium Traditional Name: 2-cyano-3-(2,6-diketo-1-methyl-cyclohexyl)propionate; dicyclohexylammonium Formula: C23H36N2O4 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CCCC1=O)CC(C#N)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC1(C(=O)CCCC1=O)CC(C#N)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C12H23N.C11H13NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-11(5-7(6-12)10(15)16)8(13)3-2-4-9(11)14/h11-13H,1-10H2;7H,2-5H2,1H3,(H,15,16)