methyl 2-(2-chloranyl-2-oxidanylidene-1-sulfanyl-ethyl)-4-nitro-benzoate

Systemtic Name: methyl 2-(2-chloranyl-2-oxidanylidene-1-sulfanyl-ethyl)-4-nitro-benzoate Openeye Name: methyl 2-(2-chloro-2-oxo-1-sulfanyl-ethyl)-4-nitro-benzoate CAS Name: 2-(2-chloro-1-mercapto-2-oxoethyl)-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(2-chloro-2-oxo-1-sulfanylethyl)-4-nitrobenzoate Traditional Name: 2-(2-chloro-2-keto-1-mercapto-ethyl)-4-nitro-benzoic acid methyl ester Formula: C10H8ClNO5S MolecularWeight: 289.69222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C(C(=O)Cl)S

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C(C(=O)Cl)S

InChI

InChI=1S/C10H8ClNO5S/c1-17-10(14)6-3-2-5(12(15)16)4-7(6)8(18)9(11)13/h2-4,8,18H,1H3