ethyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzoate

Systemtic Name: ethyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzoate Openeye Name: ethyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzoate CAS Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzoate Traditional Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzoic acid ethyl ester Formula: C16H14ClNO6S MolecularWeight: 383.80346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H14ClNO6S/c1-2-24-16(19)11-3-8-15(18(20)21)12(9-11)10-25(22,23)14-6-4-13(17)5-7-14/h3-9H,2,10H2,1H3