ethyl 4-[(4-methylsulfonylphenyl)-nitroso-amino]benzoate

Systemtic Name: ethyl 4-[(4-methylsulfonylphenyl)-nitroso-amino]benzoate Openeye Name: ethyl 4-(4-methylsulfonyl-N-nitroso-anilino)benzoate CAS Name: 4-(4-methylsulfonyl-N-nitrosoanilino)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-methylsulfonyl-N-nitrosoanilino)benzoate Traditional Name: 4-(4-mesyl-N-nitroso-anilino)benzoic acid ethyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(C2=CC=C(C=C2)S(=O)(=O)C)N=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(C2=CC=C(C=C2)S(=O)(=O)C)N=O

InChI

InChI=1S/C16H16N2O5S/c1-3-23-16(19)12-4-6-13(7-5-12)18(17-20)14-8-10-15(11-9-14)24(2,21)22/h4-11H,3H2,1-2H3