3-[(4-nitrophenyl)methyl]pentane-2,4-dione

Systemtic Name: 3-[(4-nitrophenyl)methyl]pentane-2,4-dione Openeye Name: 3-[(4-nitrophenyl)methyl]pentane-2,4-dione CAS Name: 3-[(4-nitrophenyl)methyl]pentane-2,4-dione IUPAC Name: 3-[(4-nitrophenyl)methyl]pentane-2,4-dione Traditional Name: 3-(4-nitrobenzyl)pentane-2,4-dione Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-8(14)12(9(2)15)7-10-3-5-11(6-4-10)13(16)17/h3-6,12H,7H2,1-2H3