2-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]sulfanylaniline

Systemtic Name: 2-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]sulfanylaniline Openeye Name: 2-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]sulfanylaniline CAS Name: 2-[[1-(3,4-dimethoxyphenyl)-2-nitroethyl]thio]aniline IUPAC Name: 2-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]sulfanylaniline Traditional Name: [2-[[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]thio]phenyl]amine Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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