(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate Traditional Name: 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H15ClN2O5 MolecularWeight: 398.7965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C20H15ClN2O5/c1-12-17(16(8-22)19(28-12)23-4-2-3-5-23)20(24)26-10-14-7-15(21)6-13-9-25-11-27-18(13)14/h2-7H,9-11H2,1H3