N1,N3,N5-tris[(E)-(4-methoxyphenyl)methylideneamino]-2,4,6-trinitro-benzene-1,3,5-triamine

Systemtic Name: N1,N3,N5-tris[(E)-(4-methoxyphenyl)methylideneamino]-2,4,6-trinitro-benzene-1,3,5-triamine Openeye Name: N1,N3,N5-tris[(E)-(4-methoxyphenyl)methyleneamino]-2,4,6-trinitro-benzene-1,3,5-triamine CAS Name: N1,N3,N5-tris[(E)-(4-methoxyphenyl)methylideneamino]-2,4,6-trinitrobenzene-1,3,5-triamine IUPAC Name: 1-N,3-N,5-N-tris[(E)-(4-methoxyphenyl)methylideneamino]-2,4,6-trinitrobenzene-1,3,5-triamine Traditional Name: [(E)-p-anisylideneamino]-[2,4,6-trinitro-3,5-bis[(N'E)-N'-p-anisylidenehydrazino]phenyl]amine Formula: C30H27N9O9 MolecularWeight: 657.59028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=NNC2=C(C(=C(C(=C2[N+](=O)[O-])NN=CC3=CC=C(C=C3)OC)[N+](=O)[O-])NN=CC4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=N/NC2=C(C(=C(C(=C2[N+](=O)[O-])N/N=C/C3=CC=C(C=C3)OC)[N+](=O)[O-])N/N=C/C4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C30H27N9O9/c1-46-22-10-4-19(5-11-22)16-31-34-25-28(37(40)41)26(35-32-17-20-6-12-23(47-2)13-7-20)30(39(44)45)27(29(25)38(42)43)36-33-18-21-8-14-24(48-3)15-9-21/h4-18,34-36H,1-3H3/b31-16+,32-17+,33-18+