diethyl 2-[[4-methyl-3-nitro-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-5-yl]-phenyl-methyl]propanedioate

Systemtic Name: diethyl 2-[[4-methyl-3-nitro-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-5-yl]-phenyl-methyl]propanedioate Openeye Name: diethyl 2-[(4-methyl-3-nitro-1,1-dioxo-2,3-dihydrothiophen-5-yl)-phenyl-methyl]propanedioate CAS Name: 2-[(4-methyl-3-nitro-1,1-dioxo-2,3-dihydrothiophen-5-yl)-phenylmethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-methyl-3-nitro-1,1-dioxo-2,3-dihydrothiophen-5-yl)-phenylmethyl]propanedioate Traditional Name: 2-[(1,1-diketo-4-methyl-3-nitro-2,3-dihydrothiophen-5-yl)-phenyl-methyl]malonic acid diethyl ester Formula: C19H23NO8S MolecularWeight: 425.45282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1)C2=C(C(CS2(=O)=O)[N+](=O)[O-])C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C1=CC=CC=C1)C2=C(C(CS2(=O)=O)[N+](=O)[O-])C)C(=O)OCC

InChI

InChI=1S/C19H23NO8S/c1-4-27-18(21)16(19(22)28-5-2)15(13-9-7-6-8-10-13)17-12(3)14(20(23)24)11-29(17,25)26/h6-10,14-16H,4-5,11H2,1-3H3