5-[4-[(Z)-2-(2-nitrophenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate

Systemtic Name: 5-[4-[(Z)-2-(2-nitrophenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Openeye Name: 5-[4-[(Z)-2-(2-nitrophenyl)vinyl]pyridin-1-ium-1-yl]pentanoate CAS Name: 5-[4-[(Z)-2-(2-nitrophenyl)ethenyl]-1-pyridin-1-iumyl]pentanoate IUPAC Name: 5-[4-[(Z)-2-(2-nitrophenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Traditional Name: 5-[4-[(Z)-2-(2-nitrophenyl)vinyl]pyridin-1-ium-1-yl]valerate Formula: C18H18N2O4 MolecularWeight: 326.34652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C(=C1)/C=C\C2=CC=[N+](C=C2)CCCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O4/c21-18(22)7-3-4-12-19-13-10-15(11-14-19)8-9-16-5-1-2-6-17(16)20(23)24/h1-2,5-6,8-11,13-14H,3-4,7,12H2/b9-8-