ethyl 3-nitro-4-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]sulfanyl-benzoate

Systemtic Name: ethyl 3-nitro-4-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]sulfanyl-benzoate Openeye Name: ethyl 3-nitro-4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-benzoate CAS Name: 3-nitro-4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thio]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylbenzoate Traditional Name: 4-[(2-keto-2-mesidino-ethyl)thio]-3-nitro-benzoic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)SCC(=O)NC2=C(C=C(C=C2C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)SCC(=O)NC2=C(C=C(C=C2C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c1-5-27-20(24)15-6-7-17(16(10-15)22(25)26)28-11-18(23)21-19-13(3)8-12(2)9-14(19)4/h6-10H,5,11H2,1-4H3,(H,21,23)