N-[[1-(4-bromophenyl)-2-(4-ethylpyridin-1-ium-1-yl)ethylidene]amino]-2,4-dinitro-aniline bromide

Systemtic Name: N-[[1-(4-bromophenyl)-2-(4-ethylpyridin-1-ium-1-yl)ethylidene]amino]-2,4-dinitro-aniline bromide Openeye Name: N-[[1-(4-bromophenyl)-2-(4-ethylpyridin-1-ium-1-yl)ethylidene]amino]-2,4-dinitro-aniline bromide CAS Name: N-[[1-(4-bromophenyl)-2-(4-ethyl-1-pyridin-1-iumyl)ethylidene]amino]-2,4-dinitroaniline bromide IUPAC Name: N-[[1-(4-bromophenyl)-2-(4-ethylpyridin-1-ium-1-yl)ethylidene]amino]-2,4-dinitroaniline bromide Traditional Name: [[1-(4-bromophenyl)-2-(4-ethylpyridin-1-ium-1-yl)ethylidene]amino]-(2,4-dinitrophenyl)amine bromide Formula: C21H19Br2N5O4 MolecularWeight: 565.21466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)CC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=C(C=C3)Br.[Br-]

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=C(C=C3)Br.[Br-]

InChI

InChI=1S/C21H19BrN5O4.BrH/c1-2-15-9-11-25(12-10-15)14-20(16-3-5-17(22)6-4-16)24-23-19-8-7-18(26(28)29)13-21(19)27(30)31;/h3-13,23H,2,14H2,1H3;1H/q+1;/p-1