methyl 3-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanylpropanoate Openeye Name: methyl 3-(4-benzoyl-2-nitro-phenyl)sulfanylpropanoate CAS Name: 3-[(4-benzoyl-2-nitrophenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(4-benzoyl-2-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-benzoyl-2-nitro-phenyl)thio]propionic acid methyl ester Formula: C17H15NO5S MolecularWeight: 345.3697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO5S/c1-23-16(19)9-10-24-15-8-7-13(11-14(15)18(21)22)17(20)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3