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

Systemtic Name: [1-[(E)-2-(3-nitrophenyl)-1-(4-nitrophenyl)ethenyl]pyridin-1-ium-3-yl] ethanoate Openeye Name: [1-[(E)-2-(3-nitrophenyl)-1-(4-nitrophenyl)vinyl]pyridin-1-ium-3-yl] acetate CAS Name: acetic acid [1-[(E)-2-(3-nitrophenyl)-1-(4-nitrophenyl)ethenyl]-3-pyridin-1-iumyl] ester IUPAC Name: [1-[(E)-2-(3-nitrophenyl)-1-(4-nitrophenyl)ethenyl]pyridin-1-ium-3-yl] acetate Traditional Name: acetic acid [1-[(E)-2-(3-nitrophenyl)-1-(4-nitrophenyl)vinyl]pyridin-1-ium-3-yl] ester Formula: C21H16N3O6+ MolecularWeight: 406.36824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C[N+](=CC=C1)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=C[N+](=CC=C1)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N3O6/c1-15(25)30-20-6-3-11-22(14-20)21(17-7-9-18(10-8-17)23(26)27)13-16-4-2-5-19(12-16)24(28)29/h2-14H,1H3/q+1/b21-13+