butyl 4-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]benzoate Openeye Name: butyl 4-[(4-methylsulfanyl-3-nitro-benzoyl)amino]benzoate CAS Name: 4-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-methylsulfanyl-3-nitrobenzoyl)amino]benzoate Traditional Name: 4-[[4-(methylthio)-3-nitro-benzoyl]amino]benzoic acid butyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-3-4-11-26-19(23)13-5-8-15(9-6-13)20-18(22)14-7-10-17(27-2)16(12-14)21(24)25/h5-10,12H,3-4,11H2,1-2H3,(H,20,22)