2,4-dinitro-N-[(E)-1-pyridin-1-ium-1-ylbutan-2-ylideneamino]aniline

Systemtic Name: 2,4-dinitro-N-[(E)-1-pyridin-1-ium-1-ylbutan-2-ylideneamino]aniline Openeye Name: 2,4-dinitro-N-[(E)-1-(pyridin-1-ium-1-ylmethyl)propylideneamino]aniline CAS Name: 2,4-dinitro-N-[(E)-1-(1-pyridin-1-iumyl)butan-2-ylideneamino]aniline IUPAC Name: 2,4-dinitro-N-[(E)-1-pyridin-1-ium-1-ylbutan-2-ylideneamino]aniline Traditional Name: (2,4-dinitrophenyl)-[(E)-1-(pyridin-1-ium-1-ylmethyl)propylideneamino]amine Formula: C15H16N5O4+ MolecularWeight: 330.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C[N+]2=CC=CC=C2

Isomeric SMILES

CC/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C[N+]2=CC=CC=C2

InChI

InChI=1S/C15H16N5O4/c1-2-12(11-18-8-4-3-5-9-18)16-17-14-7-6-13(19(21)22)10-15(14)20(23)24/h3-10,17H,2,11H2,1H3/q+1/b16-12+