methyl 2-(3,3-dimethylbut-1-ynyl)-4-nitro-benzoate

Systemtic Name: methyl 2-(3,3-dimethylbut-1-ynyl)-4-nitro-benzoate Openeye Name: methyl 2-(3,3-dimethylbut-1-ynyl)-4-nitro-benzoate CAS Name: 2-(3,3-dimethylbut-1-ynyl)-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethylbut-1-ynyl)-4-nitrobenzoate Traditional Name: 2-(3,3-dimethylbut-1-ynyl)-4-nitro-benzoic acid methyl ester Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4/c1-14(2,3)8-7-10-9-11(15(17)18)5-6-12(10)13(16)19-4/h5-6,9H,1-4H3