ethyl 6-(1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 6-(1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 6-(1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 6-(1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 6-(1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-2-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H19BrO5 MolecularWeight: 443.28726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H19BrO5/c1-2-26-22(25)21-17(14-5-8-19-20(11-14)28-12-27-19)9-15(10-18(21)24)13-3-6-16(23)7-4-13/h3-8,10-11,17,21H,2,9,12H2,1H3