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

Systemtic Name: N-(4-ethyloct-1-yn-3-ylideneamino)-2,4-dinitro-aniline Openeye Name: N-[(2-ethyl-1-ethynyl-hexylidene)amino]-2,4-dinitro-aniline CAS Name: N-(4-ethyloct-1-yn-3-ylideneamino)-2,4-dinitroaniline IUPAC Name: N-(4-ethyloct-1-yn-3-ylideneamino)-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[1-(1-ethylpentyl)prop-2-ynylideneamino]amine Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4/c1-4-7-8-12(5-2)14(6-3)17-18-15-10-9-13(19(21)22)11-16(15)20(23)24/h3,9-12,18H,4-5,7-8H2,1-2H3