4-tert-butyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline

Systemtic Name: 4-tert-butyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline Openeye Name: 4-tert-butyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline CAS Name: 4-tert-butyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline IUPAC Name: 4-tert-butyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline Traditional Name: (4-tert-butylphenyl)-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C18H20N2O4 MolecularWeight: 328.3624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NCC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NCC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C18H20N2O4/c1-18(2,3)13-4-6-14(7-5-13)19-10-12-8-16-17(24-11-23-16)9-15(12)20(21)22/h4-9,19H,10-11H2,1-3H3