2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenyl-ethyl]-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenyl-ethyl]-3H-isoindol-2-ium-1-amine Openeye Name: 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazono]-2-phenyl-ethyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethyl]-3H-isoindol-2-ium-1-amine Traditional Name: [(E)-[2-(3-amino-1H-isoindol-2-ium-2-yl)-1-phenyl-ethylidene]amino]-(2,4-dinitrophenyl)amine Formula: C22H19N6O4+ MolecularWeight: 431.42406

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C4)N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1C/C(=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/C4=CC=CC=C4)N

InChI

InChI=1S/C22H18N6O4/c23-22-18-9-5-4-8-16(18)13-26(22)14-20(15-6-2-1-3-7-15)25-24-19-11-10-17(27(29)30)12-21(19)28(31)32/h1-12,23-24H,13-14H2/p+1/b25-20-