4-nitro-N-[(Z)-1-[1-(phenylmethyl)pyridin-1-ium-3-yl]ethylideneamino]aniline bromide

Systemtic Name: 4-nitro-N-[(Z)-1-[1-(phenylmethyl)pyridin-1-ium-3-yl]ethylideneamino]aniline bromide Openeye Name: N-[(Z)-1-(1-benzylpyridin-1-ium-3-yl)ethylideneamino]-4-nitro-aniline bromide CAS Name: 4-nitro-N-[(Z)-1-[1-(phenylmethyl)-3-pyridin-1-iumyl]ethylideneamino]aniline bromide IUPAC Name: N-[(Z)-1-(1-benzylpyridin-1-ium-3-yl)ethylideneamino]-4-nitroaniline bromide Traditional Name: [(Z)-1-(1-benzylpyridin-1-ium-3-yl)ethylideneamino]-(4-nitrophenyl)amine bromide Formula: C20H19BrN4O2 MolecularWeight: 427.29446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C2=C[N+](=CC=C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C/C(=N/NC1=CC=C(C=C1)[N+](=O)[O-])/C2=C[N+](=CC=C2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H19N4O2.BrH/c1-16(21-22-19-9-11-20(12-10-19)24(25)26)18-8-5-13-23(15-18)14-17-6-3-2-4-7-17;/h2-13,15,22H,14H2,1H3;1H/q+1;/p-1/b21-16-;