4-methyl-4-nitro-1-phenyl-3-pyridin-4-yl-pentan-1-one

Systemtic Name: 4-methyl-4-nitro-1-phenyl-3-pyridin-4-yl-pentan-1-one Openeye Name: 4-methyl-4-nitro-1-phenyl-3-(4-pyridyl)pentan-1-one CAS Name: 4-methyl-4-nitro-1-phenyl-3-pyridin-4-yl-1-pentanone IUPAC Name: 4-methyl-4-nitro-1-phenyl-3-pyridin-4-ylpentan-1-one Traditional Name: 4-methyl-4-nitro-1-phenyl-3-(4-pyridyl)pentan-1-one Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CC(=O)C1=CC=CC=C1)C2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(CC(=O)C1=CC=CC=C1)C2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O3/c1-17(2,19(21)22)15(13-8-10-18-11-9-13)12-16(20)14-6-4-3-5-7-14/h3-11,15H,12H2,1-2H3