methyl 4-[2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]acetyl]amino]butanoate CAS Name: 4-[[2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetyl]amino]butanoate Traditional Name: 4-[[2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]acetyl]amino]butyric acid methyl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)NCCCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)NCCCC(=O)OC

InChI

InChI=1S/C20H22N2O7/c1-27-16-8-5-14(6-9-16)17-12-15(22(25)26)7-10-18(17)29-13-19(23)21-11-3-4-20(24)28-2/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,23)