ethyl 2-[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2-chloro-4-nitroanilino)-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C12H13ClN2O5S MolecularWeight: 332.76002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClN2O5S/c1-2-20-12(17)7-21-6-11(16)14-10-4-3-8(15(18)19)5-9(10)13/h3-5H,2,6-7H2,1H3,(H,14,16)