methyl 2-chloranyl-3-(2-nitroethyl)-4-(sulfonylmethyl)benzoate

Systemtic Name: methyl 2-chloranyl-3-(2-nitroethyl)-4-(sulfonylmethyl)benzoate Openeye Name: methyl 2-chloro-3-(2-nitroethyl)-4-(sulfonylmethyl)benzoate CAS Name: 2-chloro-3-(2-nitroethyl)-4-(sulfonylmethyl)benzoic acid methyl ester IUPAC Name: methyl 2-chloro-3-(2-nitroethyl)-4-(sulfonylmethyl)benzoate Traditional Name: 2-chloro-3-(2-nitroethyl)-4-(sulfonylmethyl)benzoic acid methyl ester Formula: C11H10ClNO6S MolecularWeight: 319.7182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10ClNO6S/c1-19-11(14)9-3-2-7(6-20(17)18)8(10(9)12)4-5-13(15)16/h2-3,6H,4-5H2,1H3