methyl 3-nitro-5-(3-phenylsulfanylpropylcarbamoyl)benzoate

Systemtic Name: methyl 3-nitro-5-(3-phenylsulfanylpropylcarbamoyl)benzoate Openeye Name: methyl 3-nitro-5-(3-phenylsulfanylpropylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-[3-(phenylthio)propylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(3-phenylsulfanylpropylcarbamoyl)benzoate Traditional Name: 3-nitro-5-[3-(phenylthio)propylcarbamoyl]benzoic acid methyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCCCSC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCCSC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c1-25-18(22)14-10-13(11-15(12-14)20(23)24)17(21)19-8-5-9-26-16-6-3-2-4-7-16/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,21)