3,4-dimethyl-2,6-dinitro-N-pentyl-aniline

Systemtic Name: 3,4-dimethyl-2,6-dinitro-N-pentyl-aniline Openeye Name: 3,4-dimethyl-2,6-dinitro-N-pentyl-aniline CAS Name: 3,4-dimethyl-2,6-dinitro-N-pentylaniline IUPAC Name: 3,4-dimethyl-2,6-dinitro-N-pentylaniline Traditional Name: amyl-(3,4-dimethyl-2,6-dinitro-phenyl)amine Formula: C13H19N3O4 MolecularWeight: 281.30766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4/c1-4-5-6-7-14-12-11(15(17)18)8-9(2)10(3)13(12)16(19)20/h8,14H,4-7H2,1-3H3