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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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