2-methyl-2-[4-(2-nitrophenyl)but-3-ynyl]cyclopentane-1,3-dione

Systemtic Name: 2-methyl-2-[4-(2-nitrophenyl)but-3-ynyl]cyclopentane-1,3-dione Openeye Name: 2-methyl-2-[4-(2-nitrophenyl)but-3-ynyl]cyclopentane-1,3-dione CAS Name: 2-methyl-2-[4-(2-nitrophenyl)but-3-ynyl]cyclopentane-1,3-dione IUPAC Name: 2-methyl-2-[4-(2-nitrophenyl)but-3-ynyl]cyclopentane-1,3-dione Traditional Name: 2-methyl-2-[4-(2-nitrophenyl)but-3-ynyl]cyclopentane-1,3-quinone Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CCC1=O)CCC#CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1(C(=O)CCC1=O)CCC#CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H15NO4/c1-16(14(18)9-10-15(16)19)11-5-4-7-12-6-2-3-8-13(12)17(20)21/h2-3,6,8H,5,9-11H2,1H3