2,4-dinitro-N-[(E)-3-thiophen-2-ylprop-2-ynylideneamino]aniline

Systemtic Name: 2,4-dinitro-N-[(E)-3-thiophen-2-ylprop-2-ynylideneamino]aniline Openeye Name: 2,4-dinitro-N-[(E)-3-(2-thienyl)prop-2-ynylideneamino]aniline CAS Name: 2,4-dinitro-N-[(E)-3-thiophen-2-ylprop-2-ynylideneamino]aniline IUPAC Name: 2,4-dinitro-N-[(E)-3-thiophen-2-ylprop-2-ynylideneamino]aniline Traditional Name: (2,4-dinitrophenyl)-[(E)-3-(2-thienyl)prop-2-ynylideneamino]amine Formula: C13H8N4O4S MolecularWeight: 316.29202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C#CC=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C#C/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O4S/c18-16(19)10-5-6-12(13(9-10)17(20)21)15-14-7-1-3-11-4-2-8-22-11/h2,4-9,15H/b14-7+