2,6-dimethyloct-7-en-2-yl 3-(4-nitrophenyl)-3-oxidanylidene-propanoate

Systemtic Name: 2,6-dimethyloct-7-en-2-yl 3-(4-nitrophenyl)-3-oxidanylidene-propanoate Openeye Name: 1,1,5-trimethylhept-6-enyl 3-(4-nitrophenyl)-3-oxo-propanoate CAS Name: 3-(4-nitrophenyl)-3-oxopropanoic acid 2,6-dimethyloct-7-en-2-yl ester IUPAC Name: 2,6-dimethyloct-7-en-2-yl 3-(4-nitrophenyl)-3-oxopropanoate Traditional Name: 3-keto-3-(4-nitrophenyl)propionic acid 1,1,5-trimethylhept-6-enyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-5-14(2)7-6-12-19(3,4)25-18(22)13-17(21)15-8-10-16(11-9-15)20(23)24/h5,8-11,14H,1,6-7,12-13H2,2-4H3