2-[(1R)-1-(3,5-dimethoxyphenyl)-2-nitro-ethyl]sulfanylaniline

Systemtic Name: 2-[(1R)-1-(3,5-dimethoxyphenyl)-2-nitro-ethyl]sulfanylaniline Openeye Name: 2-[(1R)-1-(3,5-dimethoxyphenyl)-2-nitro-ethyl]sulfanylaniline CAS Name: 2-[[(1R)-1-(3,5-dimethoxyphenyl)-2-nitroethyl]thio]aniline IUPAC Name: 2-[(1R)-1-(3,5-dimethoxyphenyl)-2-nitroethyl]sulfanylaniline Traditional Name: [2-[[(1R)-1-(3,5-dimethoxyphenyl)-2-nitro-ethyl]thio]phenyl]amine Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(C[N+](=O)[O-])SC2=CC=CC=C2N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)[C@H](C[N+](=O)[O-])SC2=CC=CC=C2N)OC

InChI

InChI=1S/C16H18N2O4S/c1-21-12-7-11(8-13(9-12)22-2)16(10-18(19)20)23-15-6-4-3-5-14(15)17/h3-9,16H,10,17H2,1-2H3/t16-/m0/s1