2,6-dimethyl-2-[(4-nitrophenyl)-oxidanyl-methyl]hept-5-enal

Systemtic Name: 2,6-dimethyl-2-[(4-nitrophenyl)-oxidanyl-methyl]hept-5-enal Openeye Name: 2-[hydroxy-(4-nitrophenyl)methyl]-2,6-dimethyl-hept-5-enal CAS Name: 2-[hydroxy-(4-nitrophenyl)methyl]-2,6-dimethyl-5-heptenal IUPAC Name: 2-[hydroxy-(4-nitrophenyl)methyl]-2,6-dimethylhept-5-enal Traditional Name: 2-[hydroxy-(4-nitrophenyl)methyl]-2,6-dimethyl-hept-5-enal Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-12(2)5-4-10-16(3,11-18)15(19)13-6-8-14(9-7-13)17(20)21/h5-9,11,15,19H,4,10H2,1-3H3