methyl 4-(nitromethylsulfonyl)benzoate

Systemtic Name: methyl 4-(nitromethylsulfonyl)benzoate Openeye Name: methyl 4-(nitromethylsulfonyl)benzoate CAS Name: 4-(nitromethylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 4-(nitromethylsulfonyl)benzoate Traditional Name: 4-(nitromethylsulfonyl)benzoic acid methyl ester Formula: C9H9NO6S MolecularWeight: 259.23586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO6S/c1-16-9(11)7-2-4-8(5-3-7)17(14,15)6-10(12)13/h2-5H,6H2,1H3