[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-(3-methyl-3-oxidanyl-but-1-ynyl)benzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-(3-methyl-3-oxidanyl-but-1-ynyl)benzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 4-(3-hydroxy-3-methyl-but-1-ynyl)benzoate CAS Name: 4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate Traditional Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C20H17NO6 MolecularWeight: 367.35208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C20H17NO6/c1-20(2,24)12-11-14-3-5-16(6-4-14)19(23)27-13-18(22)15-7-9-17(10-8-15)21(25)26/h3-10,24H,13H2,1-2H3