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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C(=C1)N)[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(2)28-24-26(30)27(32(34)35)25-29(28)33(36)37/h24-25H,3-23,30H2,1-2H3