(2-azanyl-2-oxidanylidene-ethyl) 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid (2-amino-2-keto-ethyl) ester Formula: C17H14N2O6S MolecularWeight: 374.36786

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O6S/c1-26-14-7-6-10(8-13(14)19(23)24)16(21)11-4-2-3-5-12(11)17(22)25-9-15(18)20/h2-8H,9H2,1H3,(H2,18,20)