3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-cyano-propanoate; dicyclohexylazanium

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-cyano-propanoate; dicyclohexylazanium Openeye Name: 2-cyano-3-(1,3-dioxoisoindolin-2-yl)propanoate; dicyclohexylammonium CAS Name: 2-cyano-3-(1,3-dioxo-2-isoindolyl)propanoate; dicyclohexylammonium IUPAC Name: 2-cyano-3-(1,3-dioxoisoindol-2-yl)propanoate; dicyclohexylazanium Traditional Name: 2-cyano-3-phthalimido-propionate; dicyclohexylammonium Formula: C24H31N3O4 MolecularWeight: 425.52064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC=C2C(=C1)C(=O)N(C2=O)CC(C#N)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC=C2C(=C1)C(=O)N(C2=O)CC(C#N)C(=O)[O-]

InChI

InChI=1S/C12H8N2O4.C12H23N/c13-5-7(12(17)18)6-14-10(15)8-3-1-2-4-9(8)11(14)16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-4,7H,6H2,(H,17,18);11-13H,1-10H2