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

Systemtic Name: 3-(2-nitro-5-octoxy-phenyl)carbonylpentane-2,4-dione Openeye Name: 3-(2-nitro-5-octoxy-benzoyl)pentane-2,4-dione CAS Name: 3-[(2-nitro-5-octoxyphenyl)-oxomethyl]pentane-2,4-dione IUPAC Name: 3-(2-nitro-5-octoxybenzoyl)pentane-2,4-dione Traditional Name: 3-(2-nitro-5-octoxy-benzoyl)pentane-2,4-dione Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)C(C(=O)C)C(=O)C

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)C(C(=O)C)C(=O)C

InChI

InChI=1S/C20H27NO6/c1-4-5-6-7-8-9-12-27-16-10-11-18(21(25)26)17(13-16)20(24)19(14(2)22)15(3)23/h10-11,13,19H,4-9,12H2,1-3H3