N-[2-(1,3-benzodioxol-5-ylmethylideneamino)phenyl]-2,4,6-trinitro-aniline

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylideneamino)phenyl]-2,4,6-trinitro-aniline Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethyleneamino)phenyl]-2,4,6-trinitro-aniline CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylideneamino)phenyl]-2,4,6-trinitroaniline IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylideneamino)phenyl]-2,4,6-trinitroaniline Traditional Name: picryl-[2-(piperonylideneamino)phenyl]amine Formula: C20H13N5O8 MolecularWeight: 451.34592

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NC3=CC=CC=C3NC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=NC3=CC=CC=C3NC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O8/c26-23(27)13-8-16(24(28)29)20(17(9-13)25(30)31)22-15-4-2-1-3-14(15)21-10-12-5-6-18-19(7-12)33-11-32-18/h1-10,22H,11H2