4-butanoyl-1-(4-nitrophenyl)carbonyl-piperidine-3,5-dione

Systemtic Name: 4-butanoyl-1-(4-nitrophenyl)carbonyl-piperidine-3,5-dione Openeye Name: 4-butanoyl-1-(4-nitrobenzoyl)piperidine-3,5-dione CAS Name: 1-[(4-nitrophenyl)-oxomethyl]-4-(1-oxobutyl)piperidine-3,5-dione IUPAC Name: 4-butanoyl-1-(4-nitrobenzoyl)piperidine-3,5-dione Traditional Name: 4-butyryl-1-(4-nitrobenzoyl)piperidine-3,5-quinone Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CN(CC1=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)C1C(=O)CN(CC1=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6/c1-2-3-12(19)15-13(20)8-17(9-14(15)21)16(22)10-4-6-11(7-5-10)18(23)24/h4-7,15H,2-3,8-9H2,1H3