ditert-butyl 2-[2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxidanylidene-ethyl]propanedioate

Systemtic Name: ditert-butyl 2-[2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxidanylidene-ethyl]propanedioate Openeye Name: ditert-butyl 2-[2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxo-ethyl]propanedioate CAS Name: 2-[2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxoethyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxoethyl]propanedioate Traditional Name: 2-[2-(cyclohexylamino)-2-keto-1-(4-nitrophenyl)ethyl]malonic acid ditert-butyl ester Formula: C25H36N2O7 MolecularWeight: 476.56254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC2CCCCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC2CCCCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H36N2O7/c1-24(2,3)33-22(29)20(23(30)34-25(4,5)6)19(16-12-14-18(15-13-16)27(31)32)21(28)26-17-10-8-7-9-11-17/h12-15,17,19-20H,7-11H2,1-6H3,(H,26,28)