4-nitro-1-[2-(3-phenylprop-1-ynyl)cyclohexen-1-yl]pentan-1-one

Systemtic Name: 4-nitro-1-[2-(3-phenylprop-1-ynyl)cyclohexen-1-yl]pentan-1-one Openeye Name: 4-nitro-1-[2-(3-phenylprop-1-ynyl)cyclohexen-1-yl]pentan-1-one CAS Name: 4-nitro-1-[2-(3-phenylprop-1-ynyl)-1-cyclohexenyl]-1-pentanone IUPAC Name: 4-nitro-1-[2-(3-phenylprop-1-ynyl)cyclohexen-1-yl]pentan-1-one Traditional Name: 4-nitro-1-[2-(3-phenylprop-1-ynyl)cyclohexen-1-yl]pentan-1-one Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)C1=C(CCCC1)C#CCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(CCC(=O)C1=C(CCCC1)C#CCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23NO3/c1-16(21(23)24)14-15-20(22)19-13-6-5-11-18(19)12-7-10-17-8-3-2-4-9-17/h2-4,8-9,16H,5-6,10-11,13-15H2,1H3