(E,3E)-1-ethoxy-2-nitro-3-[3-(phenylmethyl)imidazol-3-ium-1-yl]imino-prop-1-en-1-olate

Systemtic Name: (E,3E)-1-ethoxy-2-nitro-3-[3-(phenylmethyl)imidazol-3-ium-1-yl]imino-prop-1-en-1-olate Openeye Name: (E,3E)-3-(3-benzylimidazol-3-ium-1-yl)imino-1-ethoxy-2-nitro-prop-1-en-1-olate CAS Name: (E,3E)-1-ethoxy-2-nitro-3-[[3-(phenylmethyl)-1-imidazol-3-iumyl]imino]-1-propen-1-olate IUPAC Name: (E,3E)-3-(3-benzylimidazol-3-ium-1-yl)imino-1-ethoxy-2-nitroprop-1-en-1-olate Traditional Name: (E,3E)-3-(3-benzylimidazol-3-ium-1-yl)imino-1-ethoxy-2-nitro-prop-1-en-1-olate Formula: C15H16N4O4 MolecularWeight: 316.31194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C=NN1C=C[N+](=C1)CC2=CC=CC=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCO/C(=C(\C=N\N1C=C[N+](=C1)CC2=CC=CC=C2)/[N+](=O)[O-])/[O-]

InChI

InChI=1S/C15H16N4O4/c1-2-23-15(20)14(19(21)22)10-16-18-9-8-17(12-18)11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3