N3-[2-(1,3-benzodioxol-5-ylmethylideneamino)phenyl]-4,6-dinitro-N1-(4-octoxyphenyl)benzene-1,3-diamine

Systemtic Name: N3-[2-(1,3-benzodioxol-5-ylmethylideneamino)phenyl]-4,6-dinitro-N1-(4-octoxyphenyl)benzene-1,3-diamine Openeye Name: N3-[2-(1,3-benzodioxol-5-ylmethyleneamino)phenyl]-4,6-dinitro-N1-(4-octoxyphenyl)benzene-1,3-diamine CAS Name: N3-[2-(1,3-benzodioxol-5-ylmethylideneamino)phenyl]-4,6-dinitro-N1-(4-octoxyphenyl)benzene-1,3-diamine IUPAC Name: 3-N-[2-(1,3-benzodioxol-5-ylmethylideneamino)phenyl]-4,6-dinitro-1-N-(4-octoxyphenyl)benzene-1,3-diamine Traditional Name: [2,4-dinitro-5-(4-octoxyanilino)phenyl]-[2-(piperonylideneamino)phenyl]amine Formula: C34H35N5O7 MolecularWeight: 625.671

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC3=CC=CC=C3N=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC3=CC=CC=C3N=CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C34H35N5O7/c1-2-3-4-5-6-9-18-44-26-15-13-25(14-16-26)36-29-20-30(32(39(42)43)21-31(29)38(40)41)37-28-11-8-7-10-27(28)35-22-24-12-17-33-34(19-24)46-23-45-33/h7-8,10-17,19-22,36-37H,2-6,9,18,23H2,1H3