methyl (11E)-9-bromanyl-11-(2-chloranylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl (11E)-9-bromanyl-11-(2-chloranylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl (11E)-9-bromo-11-(2-chloroethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-9-bromo-11-(2-chloroethylidene)-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl (11E)-9-bromo-11-(2-chloroethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-9-bromo-11-(2-chloroethylidene)-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C18H14BrClO3 MolecularWeight: 393.65896

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=C(C2=CCCl)C=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC\2=C(C=C1)OCC3=C(/C2=C\CCl)C=C(C=C3)Br

InChI

InChI=1S/C18H14BrClO3/c1-22-18(21)11-3-5-17-16(8-11)14(6-7-20)15-9-13(19)4-2-12(15)10-23-17/h2-6,8-9H,7,10H2,1H3/b14-6+