[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-tert-butylphenoxy)propanoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-tert-butylphenoxy)propanoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-(4-tert-butylphenoxy)propanoate CAS Name: 3-(4-tert-butylphenoxy)propanoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(4-tert-butylphenoxy)propanoate Traditional Name: 3-(4-tert-butylphenoxy)propionic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCOC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCOC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H26N2O6/c1-15(21(26)23-18-7-5-6-8-19(18)24(27)28)30-20(25)13-14-29-17-11-9-16(10-12-17)22(2,3)4/h5-12,15H,13-14H2,1-4H3,(H,23,26)/t15-/m1/s1