N-(4-isothiocyanatophenyl)-2,4-dinitro-aniline

Systemtic Name: N-(4-isothiocyanatophenyl)-2,4-dinitro-aniline Openeye Name: N-(4-isothiocyanatophenyl)-2,4-dinitro-aniline CAS Name: N-(4-isothiocyanatophenyl)-2,4-dinitroaniline IUPAC Name: N-(4-isothiocyanatophenyl)-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-(4-isothiocyanatophenyl)amine Formula: C13H8N4O4S MolecularWeight: 316.29202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N=C=S

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N=C=S

InChI

InChI=1S/C13H8N4O4S/c18-16(19)11-5-6-12(13(7-11)17(20)21)15-10-3-1-9(2-4-10)14-8-22/h1-7,15H