methyl 7-chloranyl-5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylate

Systemtic Name: methyl 7-chloranyl-5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylate Openeye Name: methyl 7-chloro-5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylate CAS Name: 7-chloro-5-phenyl-2,3-dihydro-1,4-benzodioxepin-5-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylate Traditional Name: 7-chloro-5-phenyl-2,3-dihydro-1,4-benzodioxepin-5-carboxylic acid methyl ester Formula: C17H15ClO4 MolecularWeight: 318.7516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2=C(C=CC(=C2)Cl)OCCO1)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(C2=C(C=CC(=C2)Cl)OCCO1)C3=CC=CC=C3

InChI

InChI=1S/C17H15ClO4/c1-20-16(19)17(12-5-3-2-4-6-12)14-11-13(18)7-8-15(14)21-9-10-22-17/h2-8,11H,9-10H2,1H3