hexan-1-amine; 5-nitro-7-oxabicyclo[4.1.0]hepta-1,3,5-triene

Systemtic Name: hexan-1-amine; 5-nitro-7-oxabicyclo[4.1.0]hepta-1,3,5-triene Openeye Name: hexan-1-amine; 5-nitro-7-oxabicyclo[4.1.0]hepta-1,3,5-triene CAS Name: 1-hexanamine; 5-nitro-7-oxabicyclo[4.1.0]hepta-1,3,5-triene IUPAC Name: hexan-1-amine; 5-nitro-7-oxabicyclo[4.1.0]hepta-1,3,5-triene Traditional Name: hexylamine; 5-nitro-7-oxabicyclo[4.1.0]hepta-1,3,5-triene Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN.C1=CC(=C2C(=C1)O2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN.C1=CC(=C2C(=C1)O2)[N+](=O)[O-]

InChI

InChI=1S/C6H3NO3.C6H15N/c8-7(9)4-2-1-3-5-6(4)10-5;1-2-3-4-5-6-7/h1-3H;2-7H2,1H3