1-(2-methylprop-2-enyl)-3-nitro-cyclohexa-1,3-diene

Systemtic Name: 1-(2-methylprop-2-enyl)-3-nitro-cyclohexa-1,3-diene Openeye Name: 1-(2-methylallyl)-3-nitro-cyclohexa-1,3-diene CAS Name: 1-(2-methylprop-2-enyl)-3-nitrocyclohexa-1,3-diene IUPAC Name: 1-(2-methylprop-2-enyl)-3-nitrocyclohexa-1,3-diene Traditional Name: 1-(2-methylallyl)-3-nitro-cyclohexa-1,3-diene Formula: C10H13NO2 MolecularWeight: 179.21572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1=CC(=CCC1)[N+](=O)[O-]

Isomeric SMILES

CC(=C)CC1=CC(=CCC1)[N+](=O)[O-]

InChI

InChI=1S/C10H13NO2/c1-8(2)6-9-4-3-5-10(7-9)11(12)13/h5,7H,1,3-4,6H2,2H3