[5-(2-ethanoyl-3-oxidanylidene-but-1-enyl)-3-nitro-2-oxidanyl-phenyl] 2,2-dimethylpropanoate

Systemtic Name: [5-(2-ethanoyl-3-oxidanylidene-but-1-enyl)-3-nitro-2-oxidanyl-phenyl] 2,2-dimethylpropanoate Openeye Name: [5-(2-acetyl-3-oxo-but-1-enyl)-2-hydroxy-3-nitro-phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-(2-acetyl-3-oxobut-1-enyl)-2-hydroxy-3-nitrophenyl] ester IUPAC Name: [5-(2-acetyl-3-oxobut-1-enyl)-2-hydroxy-3-nitrophenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-(2-acetyl-3-keto-but-1-enyl)-2-hydroxy-3-nitro-phenyl] ester Formula: C17H19NO7 MolecularWeight: 349.33526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=C(C(=C1)OC(=O)C(C)(C)C)O)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(=O)C(=CC1=CC(=C(C(=C1)OC(=O)C(C)(C)C)O)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C17H19NO7/c1-9(19)12(10(2)20)6-11-7-13(18(23)24)15(21)14(8-11)25-16(22)17(3,4)5/h6-8,21H,1-5H3