3-oxidanylidenehexan-2-yl 4-nitrobenzoate

Systemtic Name: 3-oxidanylidenehexan-2-yl 4-nitrobenzoate Openeye Name: (1-methyl-2-oxo-pentyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 3-oxohexan-2-yl ester IUPAC Name: 3-oxohexan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-keto-1-methyl-pentyl) ester Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-3-4-12(15)9(2)19-13(16)10-5-7-11(8-6-10)14(17)18/h5-9H,3-4H2,1-2H3