3-nitro-1-propyl-cyclohexa-1,3-diene

Systemtic Name: 3-nitro-1-propyl-cyclohexa-1,3-diene Openeye Name: 3-nitro-1-propyl-cyclohexa-1,3-diene CAS Name: 3-nitro-1-propylcyclohexa-1,3-diene IUPAC Name: 3-nitro-1-propylcyclohexa-1,3-diene Traditional Name: 3-nitro-1-propyl-cyclohexa-1,3-diene Formula: C9H13NO2 MolecularWeight: 167.20502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CCC1)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=CCC1)[N+](=O)[O-]

InChI

InChI=1S/C9H13NO2/c1-2-4-8-5-3-6-9(7-8)10(11)12/h6-7H,2-5H2,1H3