1-methoxy-3-[(4-nitrophenyl)methyl]heptane-2,4-dione

Systemtic Name: 1-methoxy-3-[(4-nitrophenyl)methyl]heptane-2,4-dione Openeye Name: 1-methoxy-3-[(4-nitrophenyl)methyl]heptane-2,4-dione CAS Name: 1-methoxy-3-[(4-nitrophenyl)methyl]heptane-2,4-dione IUPAC Name: 1-methoxy-3-[(4-nitrophenyl)methyl]heptane-2,4-dione Traditional Name: 1-methoxy-3-(4-nitrobenzyl)heptane-2,4-dione Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)COC

Isomeric SMILES

CCCC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)COC

InChI

InChI=1S/C15H19NO5/c1-3-4-14(17)13(15(18)10-21-2)9-11-5-7-12(8-6-11)16(19)20/h5-8,13H,3-4,9-10H2,1-2H3