[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)sulfonylpropanoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)sulfonylpropanoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 3-(4-methoxyphenyl)sulfonylpropanoate CAS Name: 3-(4-methoxyphenyl)sulfonylpropanoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate Traditional Name: 3-(4-methoxyphenyl)sulfonylpropionic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C18H17NO8S MolecularWeight: 407.39448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO8S/c1-26-15-5-7-16(8-6-15)28(24,25)10-9-18(21)27-12-17(20)13-3-2-4-14(11-13)19(22)23/h2-8,11H,9-10,12H2,1H3