5-methoxy-1-(3-nitrophenyl)pentane-1,3-dione

Systemtic Name: 5-methoxy-1-(3-nitrophenyl)pentane-1,3-dione Openeye Name: 5-methoxy-1-(3-nitrophenyl)pentane-1,3-dione CAS Name: 5-methoxy-1-(3-nitrophenyl)pentane-1,3-dione IUPAC Name: 5-methoxy-1-(3-nitrophenyl)pentane-1,3-dione Traditional Name: 5-methoxy-1-(3-nitrophenyl)pentane-1,3-dione Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)CC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

COCCC(=O)CC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO5/c1-18-6-5-11(14)8-12(15)9-3-2-4-10(7-9)13(16)17/h2-4,7H,5-6,8H2,1H3