methyl 4-cyano-5H-benzo[d][1,3]benzodioxocine-11-carboxylate

Systemtic Name: methyl 4-cyano-5H-benzo[d][1,3]benzodioxocine-11-carboxylate Openeye Name: methyl 4-cyano-5H-benzo[d][1,3]benzodioxocine-11-carboxylate CAS Name: 4-cyano-5H-benzo[d][1,3]benzodioxocin-11-carboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5H-benzo[d][1,3]benzodioxocine-11-carboxylate Traditional Name: 4-cyano-5H-benzo[d][1,3]benzodioxocin-11-carboxylic acid methyl ester Formula: C17H13NO4 MolecularWeight: 295.28942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1OC2=CC=CC=C2CC3=C(C=CC=C3O1)C#N

Isomeric SMILES

COC(=O)C1OC2=CC=CC=C2CC3=C(C=CC=C3O1)C#N

InChI

InChI=1S/C17H13NO4/c1-20-16(19)17-21-14-7-3-2-5-11(14)9-13-12(10-18)6-4-8-15(13)22-17/h2-8,17H,9H2,1H3