[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-(4-methoxyphenoxy)butanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-(4-methoxyphenoxy)butanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-(4-methoxyphenoxy)butanoate CAS Name: 4-(4-methoxyphenoxy)butanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate Traditional Name: 4-(4-methoxyphenoxy)butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H21NO7 MolecularWeight: 387.38324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCOC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCOC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO7/c1-14-5-6-15(12-18(14)21(24)25)19(22)13-28-20(23)4-3-11-27-17-9-7-16(26-2)8-10-17/h5-10,12H,3-4,11,13H2,1-2H3