ethyl 2-[2-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylbenzoate

Systemtic Name: ethyl 2-[2-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylbenzoate Openeye Name: ethyl 2-[2-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methoxyphenyl)-2-nitroethyl]thio]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methoxyphenyl)-2-nitroethyl]sulfanylbenzoate Traditional Name: 2-[[2-(4-methoxyphenyl)-2-nitro-ethyl]thio]benzoic acid ethyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1SCC(C2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1SCC(C2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO5S/c1-3-24-18(20)15-6-4-5-7-17(15)25-12-16(19(21)22)13-8-10-14(23-2)11-9-13/h4-11,16H,3,12H2,1-2H3