[(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-ethylphenyl)propanoate

Systemtic Name: [(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-ethylphenyl)propanoate Openeye Name: [(1R)-2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(4-ethylphenyl)propanoate CAS Name: 3-(4-ethylphenyl)propanoic acid [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 3-(4-ethylphenyl)propanoate Traditional Name: 3-(4-ethylphenyl)propionic acid [(1R)-2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)OC(C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)O[C@H](C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6/c1-4-15-5-7-16(8-6-15)9-12-20(24)29-14(2)21(25)22-18-11-10-17(28-3)13-19(18)23(26)27/h5-8,10-11,13-14H,4,9,12H2,1-3H3,(H,22,25)/t14-/m1/s1