N-(hex-1-yn-3-ylideneamino)-2,4-dinitro-aniline

Systemtic Name: N-(hex-1-yn-3-ylideneamino)-2,4-dinitro-aniline Openeye Name: N-(1-ethynylbutylideneamino)-2,4-dinitro-aniline CAS Name: N-(hex-1-yn-3-ylideneamino)-2,4-dinitroaniline IUPAC Name: N-(hex-1-yn-3-ylideneamino)-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-(1-propylprop-2-ynylideneamino)amine Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O4/c1-3-5-9(4-2)13-14-11-7-6-10(15(17)18)8-12(11)16(19)20/h2,6-8,14H,3,5H2,1H3