6H-1,2-benzodioxepin-8-yl 2-pyridin-4-ylprop-2-enoate

Systemtic Name: 6H-1,2-benzodioxepin-8-yl 2-pyridin-4-ylprop-2-enoate Openeye Name: 6H-1,2-benzodioxepin-8-yl 2-(4-pyridyl)prop-2-enoate CAS Name: 2-pyridin-4-yl-2-propenoic acid 6H-1,2-benzodioxepin-8-yl ester IUPAC Name: 6H-1,2-benzodioxepin-8-yl 2-pyridin-4-ylprop-2-enoate Traditional Name: 2-(4-pyridyl)acrylic acid 6H-1,2-benzodioxepin-8-yl ester Formula: C17H13NO4 MolecularWeight: 295.28942

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=NC=C1)C(=O)OC2=CCC3=CC=COOC3=C2

Isomeric SMILES

C=C(C1=CC=NC=C1)C(=O)OC2=CCC3=CC=COOC3=C2

InChI

InChI=1S/C17H13NO4/c1-12(13-6-8-18-9-7-13)17(19)21-15-5-4-14-3-2-10-20-22-16(14)11-15/h2-3,5-11H,1,4H2