N1,N3-bis[(4-methoxyphenyl)methyl]-4,6-dinitro-benzene-1,3-diamine

Systemtic Name: N1,N3-bis[(4-methoxyphenyl)methyl]-4,6-dinitro-benzene-1,3-diamine Openeye Name: N1,N3-bis[(4-methoxyphenyl)methyl]-4,6-dinitro-benzene-1,3-diamine CAS Name: N1,N3-bis[(4-methoxyphenyl)methyl]-4,6-dinitrobenzene-1,3-diamine IUPAC Name: 1-N,3-N-bis[(4-methoxyphenyl)methyl]-4,6-dinitrobenzene-1,3-diamine Traditional Name: [2,4-dinitro-5-(p-anisylamino)phenyl]-p-anisyl-amine Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NCC3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H22N4O6/c1-31-17-7-3-15(4-8-17)13-23-19-11-20(22(26(29)30)12-21(19)25(27)28)24-14-16-5-9-18(32-2)10-6-16/h3-12,23-24H,13-14H2,1-2H3