3-(5-butoxy-2-nitro-phenyl)carbonylpentane-2,4-dione

Systemtic Name: 3-(5-butoxy-2-nitro-phenyl)carbonylpentane-2,4-dione Openeye Name: 3-(5-butoxy-2-nitro-benzoyl)pentane-2,4-dione CAS Name: 3-[(5-butoxy-2-nitrophenyl)-oxomethyl]pentane-2,4-dione IUPAC Name: 3-(5-butoxy-2-nitrobenzoyl)pentane-2,4-dione Traditional Name: 3-(5-butoxy-2-nitro-benzoyl)pentane-2,4-dione Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)C(C(=O)C)C(=O)C

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)C(C(=O)C)C(=O)C

InChI

InChI=1S/C16H19NO6/c1-4-5-8-23-12-6-7-14(17(21)22)13(9-12)16(20)15(10(2)18)11(3)19/h6-7,9,15H,4-5,8H2,1-3H3