3-[(1R)-1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylaniline

Systemtic Name: 3-[(1R)-1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylaniline Openeye Name: 3-[(1R)-1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylaniline CAS Name: 3-[[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]thio]aniline IUPAC Name: 3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]sulfanylaniline Traditional Name: [3-[[(1R)-1-(4-methoxyphenyl)-2-nitro-ethyl]thio]phenyl]amine Formula: C15H16N2O3S MolecularWeight: 304.36414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C[N+](=O)[O-])SC2=CC=CC(=C2)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C[N+](=O)[O-])SC2=CC=CC(=C2)N

InChI

InChI=1S/C15H16N2O3S/c1-20-13-7-5-11(6-8-13)15(10-17(18)19)21-14-4-2-3-12(16)9-14/h2-9,15H,10,16H2,1H3/t15-/m0/s1