6-nitro-N-pentan-2-yl-1,3-benzodioxol-5-amine

Systemtic Name: 6-nitro-N-pentan-2-yl-1,3-benzodioxol-5-amine Openeye Name: N-(1-methylbutyl)-6-nitro-1,3-benzodioxol-5-amine CAS Name: 6-nitro-N-pentan-2-yl-1,3-benzodioxol-5-amine IUPAC Name: 6-nitro-N-pentan-2-yl-1,3-benzodioxol-5-amine Traditional Name: 1-methylbutyl-(6-nitro-1,3-benzodioxol-5-yl)amine Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CCCC(C)NC1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C12H16N2O4/c1-3-4-8(2)13-9-5-11-12(18-7-17-11)6-10(9)14(15)16/h5-6,8,13H,3-4,7H2,1-2H3