ethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-ethyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-ethyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-ethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-2-ethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-ethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-2-ethyl-5-keto-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Br)OCO4)C(=O)OCC

Isomeric SMILES

CCC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Br)OCO4)C(=O)OCC

InChI

InChI=1S/C21H22BrNO5/c1-3-13-20(21(25)26-4-2)18(19-14(23-13)6-5-7-15(19)24)11-8-16-17(9-12(11)22)28-10-27-16/h8-9,18,23H,3-7,10H2,1-2H3