2,4-dinitro-N-[(E)-oct-3-yn-2-ylideneamino]aniline

Systemtic Name: 2,4-dinitro-N-[(E)-oct-3-yn-2-ylideneamino]aniline Openeye Name: N-[(E)-1-methylhept-2-ynylideneamino]-2,4-dinitro-aniline CAS Name: 2,4-dinitro-N-[(E)-oct-3-yn-2-ylideneamino]aniline IUPAC Name: 2,4-dinitro-N-[(E)-oct-3-yn-2-ylideneamino]aniline Traditional Name: (2,4-dinitrophenyl)-[(E)-1-methylhept-2-ynylideneamino]amine Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCCCC#C/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C

InChI

InChI=1S/C14H16N4O4/c1-3-4-5-6-7-11(2)15-16-13-9-8-12(17(19)20)10-14(13)18(21)22/h8-10,16H,3-5H2,1-2H3/b15-11+