hex-1-en-3-one; 4-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene

Systemtic Name: hex-1-en-3-one; 4-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene Openeye Name: hex-1-en-3-one; 4-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene CAS Name: 1-hexen-3-one; 4-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene IUPAC Name: hex-1-en-3-one; 4-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene Traditional Name: hex-1-en-3-one; 4-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene Formula: C12H13NO3 MolecularWeight: 219.23652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C=C.C1=CC(=C2C1=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)C=C.C1=CC(=C2C1=C2)[N+](=O)[O-]

InChI

InChI=1S/C6H3NO2.C6H10O/c8-7(9)6-2-1-4-3-5(4)6;1-3-5-6(7)4-2/h1-3H;4H,2-3,5H2,1H3