[3-methyl-1-(2-nitrophenyl)-2-oxidanylidene-pentyl] ethanoate

Systemtic Name: [3-methyl-1-(2-nitrophenyl)-2-oxidanylidene-pentyl] ethanoate Openeye Name: [3-methyl-1-(2-nitrophenyl)-2-oxo-pentyl] acetate CAS Name: acetic acid [3-methyl-1-(2-nitrophenyl)-2-oxopentyl] ester IUPAC Name: [3-methyl-1-(2-nitrophenyl)-2-oxopentyl] acetate Traditional Name: acetic acid [2-keto-3-methyl-1-(2-nitrophenyl)pentyl] ester Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-4-9(2)13(17)14(20-10(3)16)11-7-5-6-8-12(11)15(18)19/h5-9,14H,4H2,1-3H3