N3-docosyl-N1-methyl-4,6-dinitro-benzene-1,3-diamine

Systemtic Name: N3-docosyl-N1-methyl-4,6-dinitro-benzene-1,3-diamine Openeye Name: N3-docosyl-N1-methyl-4,6-dinitro-benzene-1,3-diamine CAS Name: N3-docosyl-N1-methyl-4,6-dinitrobenzene-1,3-diamine IUPAC Name: 3-N-docosyl-1-N-methyl-4,6-dinitrobenzene-1,3-diamine Traditional Name: behenyl-[5-(methylamino)-2,4-dinitro-phenyl]amine Formula: C29H52N4O4 MolecularWeight: 520.74758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCNC1=C(C=C(C(=C1)NC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCNC1=C(C=C(C(=C1)NC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C29H52N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-31-27-24-26(30-2)28(32(34)35)25-29(27)33(36)37/h24-25,30-31H,3-23H2,1-2H3