methyl 2-chloranyl-3-[(E)-2-nitroethenyl]-4-(sulfonylmethyl)benzoate

Systemtic Name: methyl 2-chloranyl-3-[(E)-2-nitroethenyl]-4-(sulfonylmethyl)benzoate Openeye Name: methyl 2-chloro-3-[(E)-2-nitrovinyl]-4-(sulfonylmethyl)benzoate CAS Name: 2-chloro-3-[(E)-2-nitroethenyl]-4-(sulfonylmethyl)benzoic acid methyl ester IUPAC Name: methyl 2-chloro-3-[(E)-2-nitroethenyl]-4-(sulfonylmethyl)benzoate Traditional Name: 2-chloro-3-[(E)-2-nitrovinyl]-4-(sulfonylmethyl)benzoic acid methyl ester Formula: C11H8ClNO6S MolecularWeight: 317.70232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8ClNO6S/c1-19-11(14)9-3-2-7(6-20(17)18)8(10(9)12)4-5-13(15)16/h2-6H,1H3/b5-4+