2-[(E)-2-[1-(2-azanylethyl)-6-ethenyl-pyridin-1-ium-2-yl]ethenyl]-4-nitro-phenol

Systemtic Name: 2-[(E)-2-[1-(2-azanylethyl)-6-ethenyl-pyridin-1-ium-2-yl]ethenyl]-4-nitro-phenol Openeye Name: 2-[(E)-2-[1-(2-aminoethyl)-6-vinyl-pyridin-1-ium-2-yl]vinyl]-4-nitro-phenol CAS Name: 2-[(E)-2-[1-(2-aminoethyl)-6-ethenyl-2-pyridin-1-iumyl]ethenyl]-4-nitrophenol IUPAC Name: 2-[(E)-2-[1-(2-aminoethyl)-6-ethenylpyridin-1-ium-2-yl]ethenyl]-4-nitrophenol Traditional Name: 2-[(E)-2-[1-(2-aminoethyl)-6-vinyl-pyridin-1-ium-2-yl]vinyl]-4-nitro-phenol Formula: C17H18N3O3+ MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=[N+](C(=CC=C1)C=CC2=C(C=CC(=C2)[N+](=O)[O-])O)CCN

Isomeric SMILES

C=CC1=[N+](C(=CC=C1)/C=C/C2=C(C=CC(=C2)[N+](=O)[O-])O)CCN

InChI

InChI=1S/C17H17N3O3/c1-2-14-4-3-5-15(19(14)11-10-18)7-6-13-12-16(20(22)23)8-9-17(13)21/h2-9,12H,1,10-11,18H2/p+1