2-methyl-3-(4-nitrophenyl)hept-2-en-5-yn-4-ol

Systemtic Name: 2-methyl-3-(4-nitrophenyl)hept-2-en-5-yn-4-ol Openeye Name: 2-methyl-3-(4-nitrophenyl)hept-2-en-5-yn-4-ol CAS Name: 2-methyl-3-(4-nitrophenyl)-4-hept-2-en-5-ynol IUPAC Name: 2-methyl-3-(4-nitrophenyl)hept-2-en-5-yn-4-ol Traditional Name: 2-methyl-3-(4-nitrophenyl)hept-2-en-5-yn-4-ol Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO3/c1-4-5-13(16)14(10(2)3)11-6-8-12(9-7-11)15(17)18/h6-9,13,16H,1-3H3