1,3-benzodioxol-5-yl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: 1,3-benzodioxol-5-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionic acid 1,3-benzodioxol-5-yl ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OC2=CC3=C(C=C2)OCO3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)OC2=CC3=C(C=C2)OCO3)C)C#N

InChI

InChI=1S/C18H16N2O5/c1-10-13(11(2)20-18(22)14(10)8-19)4-6-17(21)25-12-3-5-15-16(7-12)24-9-23-15/h3,5,7H,4,6,9H2,1-2H3,(H,20,22)