3-chloranylpropyl 2-methyl-3-oxidanylidene-4,5-dihydro-1-benzoxepine-2-carboxylate

Systemtic Name: 3-chloranylpropyl 2-methyl-3-oxidanylidene-4,5-dihydro-1-benzoxepine-2-carboxylate Openeye Name: 3-chloropropyl 2-methyl-3-oxo-4,5-dihydro-1-benzoxepine-2-carboxylate CAS Name: 2-methyl-3-oxo-4,5-dihydro-1-benzoxepin-2-carboxylic acid 3-chloropropyl ester IUPAC Name: 3-chloropropyl 2-methyl-3-oxo-4,5-dihydro-1-benzoxepine-2-carboxylate Traditional Name: 3-keto-2-methyl-4,5-dihydro-1-benzoxepin-2-carboxylic acid 3-chloropropyl ester Formula: C15H17ClO4 MolecularWeight: 296.74608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CCC2=CC=CC=C2O1)C(=O)OCCCCl

Isomeric SMILES

CC1(C(=O)CCC2=CC=CC=C2O1)C(=O)OCCCCl

InChI

InChI=1S/C15H17ClO4/c1-15(14(18)19-10-4-9-16)13(17)8-7-11-5-2-3-6-12(11)20-15/h2-3,5-6H,4,7-10H2,1H3