(6E)-3-nitro-6-[[[4-[4-[(2,4,6-trinitrophenyl)amino]phenyl]phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-3-nitro-6-[[[4-[4-[(2,4,6-trinitrophenyl)amino]phenyl]phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-3-nitro-6-[[4-[4-(2,4,6-trinitroanilino)phenyl]anilino]methylene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-3-nitro-6-[[4-[4-(2,4,6-trinitroanilino)phenyl]anilino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-3-nitro-6-[[4-[4-(2,4,6-trinitroanilino)phenyl]anilino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-3-nitro-6-[[4-[4-(2,4,6-trinitroanilino)phenyl]anilino]methylene]cyclohexa-2,4-dien-1-one Formula: C25H16N6O9 MolecularWeight: 544.42934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])NC=C4C=CC(=CC4=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N/C=C/4\C=CC(=CC4=O)[N+](=O)[O-]

InChI

InChI=1S/C25H16N6O9/c32-24-13-20(28(33)34)10-5-17(24)14-26-18-6-1-15(2-7-18)16-3-8-19(9-4-16)27-25-22(30(37)38)11-21(29(35)36)12-23(25)31(39)40/h1-14,26-27H/b17-14+