(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-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 (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-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 (5-chloro-2,3-dihydro-1,4-benzodioxin-7-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=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

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