N-[(E)-(5-ethynylthiophen-2-yl)methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-(5-ethynylthiophen-2-yl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(5-ethynyl-2-thienyl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-(5-ethynyl-2-thiophenyl)methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(5-ethynylthiophen-2-yl)methylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-(5-ethynyl-2-thienyl)methyleneamino]amine Formula: C13H8N4O4S MolecularWeight: 316.29202

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(S1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC=C(S1)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O4S/c1-2-10-4-5-11(22-10)8-14-15-12-6-3-9(16(18)19)7-13(12)17(20)21/h1,3-8,15H/b14-8+