ethyl 4-[(Z)-1-ethylsulfanyl-2-nitro-ethenyl]benzoate

Systemtic Name: ethyl 4-[(Z)-1-ethylsulfanyl-2-nitro-ethenyl]benzoate Openeye Name: ethyl 4-[(Z)-1-ethylsulfanyl-2-nitro-vinyl]benzoate CAS Name: 4-[(Z)-1-(ethylthio)-2-nitroethenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(Z)-1-ethylsulfanyl-2-nitroethenyl]benzoate Traditional Name: 4-[(Z)-1-(ethylthio)-2-nitro-vinyl]benzoic acid ethyl ester Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(=C[N+](=O)[O-])SCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C(=C/[N+](=O)[O-])/SCC

InChI

InChI=1S/C13H15NO4S/c1-3-18-13(15)11-7-5-10(6-8-11)12(19-4-2)9-14(16)17/h5-9H,3-4H2,1-2H3/b12-9-