2-(2-azanylpyrimidin-1-ium-1-yl)-1-(4-ethoxy-3-nitro-phenyl)ethanone

Systemtic Name: 2-(2-azanylpyrimidin-1-ium-1-yl)-1-(4-ethoxy-3-nitro-phenyl)ethanone Openeye Name: 2-(2-aminopyrimidin-1-ium-1-yl)-1-(4-ethoxy-3-nitro-phenyl)ethanone CAS Name: 2-(2-amino-1-pyrimidin-1-iumyl)-1-(4-ethoxy-3-nitrophenyl)ethanone IUPAC Name: 2-(2-aminopyrimidin-1-ium-1-yl)-1-(4-ethoxy-3-nitrophenyl)ethanone Traditional Name: 2-(2-aminopyrimidin-1-ium-1-yl)-1-(4-ethoxy-3-nitro-phenyl)ethanone Formula: C14H15N4O4+ MolecularWeight: 303.2933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C[N+]2=CC=CN=C2N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C[N+]2=CC=CN=C2N)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O4/c1-2-22-13-5-4-10(8-11(13)18(20)21)12(19)9-17-7-3-6-16-14(17)15/h3-8,15H,2,9H2,1H3/p+1