methyl (2R,3S)-3-[(4-methoxyphenyl)amino]-5-nitro-2-phenoxy-pentanoate

Systemtic Name: methyl (2R,3S)-3-[(4-methoxyphenyl)amino]-5-nitro-2-phenoxy-pentanoate Openeye Name: methyl (2R,3S)-3-(4-methoxyanilino)-5-nitro-2-phenoxy-pentanoate CAS Name: (2R,3S)-3-(4-methoxyanilino)-5-nitro-2-phenoxypentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-(4-methoxyanilino)-5-nitro-2-phenoxypentanoate Traditional Name: (2R,3S)-5-nitro-3-(p-anisidino)-2-phenoxy-valeric acid methyl ester Formula: C19H22N2O6 MolecularWeight: 374.38778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(CC[N+](=O)[O-])C(C(=O)OC)OC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)N[C@@H](CC[N+](=O)[O-])[C@H](C(=O)OC)OC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O6/c1-25-15-10-8-14(9-11-15)20-17(12-13-21(23)24)18(19(22)26-2)27-16-6-4-3-5-7-16/h3-11,17-18,20H,12-13H2,1-2H3/t17-,18+/m0/s1