4-nitro-N-[(E)-(2,4,6-trinitrophenyl)methylideneamino]aniline

Systemtic Name: 4-nitro-N-[(E)-(2,4,6-trinitrophenyl)methylideneamino]aniline Openeye Name: 4-nitro-N-[(E)-(2,4,6-trinitrophenyl)methyleneamino]aniline CAS Name: 4-nitro-N-[(E)-(2,4,6-trinitrophenyl)methylideneamino]aniline IUPAC Name: 4-nitro-N-[(E)-(2,4,6-trinitrophenyl)methylideneamino]aniline Traditional Name: (4-nitrophenyl)-[(E)-(2,4,6-trinitrobenzylidene)amino]amine Formula: C13H8N6O8 MolecularWeight: 376.23802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=CC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N/N=C/C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N6O8/c20-16(21)9-3-1-8(2-4-9)15-14-7-11-12(18(24)25)5-10(17(22)23)6-13(11)19(26)27/h1-7,15H/b14-7+