N-(4-butan-2-ylphenyl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine

Systemtic Name: N-(4-butan-2-ylphenyl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Openeye Name: 1-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-sec-butylphenyl)methanimine CAS Name: N-(4-butan-2-ylphenyl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine IUPAC Name: N-(4-butan-2-ylphenyl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Traditional Name: (6-nitro-1,3-benzodioxol-5-yl)methylene-(4-sec-butylphenyl)amine Formula: C18H18N2O4 MolecularWeight: 326.34652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C18H18N2O4/c1-3-12(2)13-4-6-15(7-5-13)19-10-14-8-17-18(24-11-23-17)9-16(14)20(21)22/h4-10,12H,3,11H2,1-2H3