6-nitro-N-pentyl-1,3-benzodioxol-5-amine

Systemtic Name: 6-nitro-N-pentyl-1,3-benzodioxol-5-amine Openeye Name: 6-nitro-N-pentyl-1,3-benzodioxol-5-amine CAS Name: 6-nitro-N-pentyl-1,3-benzodioxol-5-amine IUPAC Name: 6-nitro-N-pentyl-1,3-benzodioxol-5-amine Traditional Name: amyl-(6-nitro-1,3-benzodioxol-5-yl)amine Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CCCCCNC1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C12H16N2O4/c1-2-3-4-5-13-9-6-11-12(18-8-17-11)7-10(9)14(15)16/h6-7,13H,2-5,8H2,1H3