N-[(E)-(2-ethynylcyclohexen-1-yl)methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-(2-ethynylcyclohexen-1-yl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(2-ethynylcyclohexen-1-yl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-(2-ethynyl-1-cyclohexenyl)methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(2-ethynylcyclohexen-1-yl)methylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-(2-ethynylcyclohexen-1-yl)methyleneamino]amine Formula: C15H14N4O4 MolecularWeight: 314.29606

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(CCCC1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C#CC1=C(CCCC1)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O4/c1-2-11-5-3-4-6-12(11)10-16-17-14-8-7-13(18(20)21)9-15(14)19(22)23/h1,7-10,17H,3-6H2/b16-10+