ethyl 2-[4-(3-nitrophenyl)pyridin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(3-nitrophenyl)pyridin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-(3-nitrophenyl)pyridin-1-ium-1-yl]acetate CAS Name: 2-[4-(3-nitrophenyl)-1-pyridin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-nitrophenyl)pyridin-1-ium-1-yl]acetate Traditional Name: 2-[4-(3-nitrophenyl)pyridin-1-ium-1-yl]acetic acid ethyl ester Formula: C15H15N2O4+ MolecularWeight: 287.2906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=C(C=C1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C[N+]1=CC=C(C=C1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N2O4/c1-2-21-15(18)11-16-8-6-12(7-9-16)13-4-3-5-14(10-13)17(19)20/h3-10H,2,11H2,1H3/q+1