(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C22H24N2O7S/c1-22(2,3)19(25)12-31-21(27)15-7-5-6-8-18(15)32-13-20(26)23-16-10-9-14(24(28)29)11-17(16)30-4/h5-11H,12-13H2,1-4H3,(H,23,26)