3,7-dimethyl-2-nitro-1-phenyl-oct-6-en-1-one

Systemtic Name: 3,7-dimethyl-2-nitro-1-phenyl-oct-6-en-1-one Openeye Name: 3,7-dimethyl-2-nitro-1-phenyl-oct-6-en-1-one CAS Name: 3,7-dimethyl-2-nitro-1-phenyl-6-octen-1-one IUPAC Name: 3,7-dimethyl-2-nitro-1-phenyloct-6-en-1-one Traditional Name: 3,7-dimethyl-2-nitro-1-phenyl-oct-6-en-1-one Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c1-12(2)8-7-9-13(3)15(17(19)20)16(18)14-10-5-4-6-11-14/h4-6,8,10-11,13,15H,7,9H2,1-3H3