(Z)-6-[2-(4-nitrophenyl)-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid

Systemtic Name: (Z)-6-[2-(4-nitrophenyl)-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid Openeye Name: (Z)-6-[2-(4-nitrophenyl)-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid CAS Name: (Z)-6-[2-(4-nitrophenyl)-4-(3-pyridinyl)-1,3-dioxan-5-yl]-4-hexenoic acid IUPAC Name: (Z)-6-[2-(4-nitrophenyl)-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid Traditional Name: (Z)-6-[2-(4-nitrophenyl)-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC(O1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CC=C3)CC=CCCC(=O)O

Isomeric SMILES

C1C(C(OC(O1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CC=C3)C/C=C\CCC(=O)O

InChI

InChI=1S/C21H22N2O6/c24-19(25)7-3-1-2-5-17-14-28-21(15-8-10-18(11-9-15)23(26)27)29-20(17)16-6-4-12-22-13-16/h1-2,4,6,8-13,17,20-21H,3,5,7,14H2,(H,24,25)/b2-1-