N1,N3-bis(2,5-dimethoxyphenyl)-4,6-dinitro-benzene-1,3-diamine

Systemtic Name: N1,N3-bis(2,5-dimethoxyphenyl)-4,6-dinitro-benzene-1,3-diamine Openeye Name: N1,N3-bis(2,5-dimethoxyphenyl)-4,6-dinitro-benzene-1,3-diamine CAS Name: N1,N3-bis(2,5-dimethoxyphenyl)-4,6-dinitrobenzene-1,3-diamine IUPAC Name: 1-N,3-N-bis(2,5-dimethoxyphenyl)-4,6-dinitrobenzene-1,3-diamine Traditional Name: [5-(2,5-dimethoxyanilino)-2,4-dinitro-phenyl]-(2,5-dimethoxyphenyl)amine Formula: C22H22N4O8 MolecularWeight: 470.43208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H22N4O8/c1-31-13-5-7-21(33-3)17(9-13)23-15-11-16(20(26(29)30)12-19(15)25(27)28)24-18-10-14(32-2)6-8-22(18)34-4/h5-12,23-24H,1-4H3