[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 3-(4-nitrophenyl)sulfanylpropanoate CAS Name: 3-[(4-nitrophenyl)thio]propanoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 3-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-nitrophenyl)thio]propionic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C17H14N2O7S MolecularWeight: 390.36726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)COC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)COC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O7S/c20-16(12-1-3-13(4-2-12)18(22)23)11-26-17(21)9-10-27-15-7-5-14(6-8-15)19(24)25/h1-8H,9-11H2