cyanomethyl 4-[1-azanyl-2,6-bis(oxidanylidene)cyclohexyl]-2-oxidanyl-benzoate

Systemtic Name: cyanomethyl 4-[1-azanyl-2,6-bis(oxidanylidene)cyclohexyl]-2-oxidanyl-benzoate Openeye Name: cyanomethyl 4-(1-amino-2,6-dioxo-cyclohexyl)-2-hydroxy-benzoate CAS Name: 4-(1-amino-2,6-dioxocyclohexyl)-2-hydroxybenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(1-amino-2,6-dioxocyclohexyl)-2-hydroxybenzoate Traditional Name: 4-(1-amino-2,6-diketo-cyclohexyl)-2-hydroxy-benzoic acid cyanomethyl ester Formula: C15H14N2O5 MolecularWeight: 302.28206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)(C2=CC(=C(C=C2)C(=O)OCC#N)O)N

Isomeric SMILES

C1CC(=O)C(C(=O)C1)(C2=CC(=C(C=C2)C(=O)OCC#N)O)N

InChI

InChI=1S/C15H14N2O5/c16-6-7-22-14(21)10-5-4-9(8-11(10)18)15(17)12(19)2-1-3-13(15)20/h4-5,8,18H,1-3,7,17H2