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

Systemtic Name: ethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C20H20BrNO5 MolecularWeight: 434.2805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CCCC(=O)C2C1C3=CC4=C(C=C3Br)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CCCC(=O)C2C1C3=CC4=C(C=C3Br)OCO4)C

InChI

InChI=1S/C20H20BrNO5/c1-3-25-20(24)17-10(2)22-13-5-4-6-14(23)19(13)18(17)11-7-15-16(8-12(11)21)27-9-26-15/h5,7-8,18-19,22H,3-4,6,9H2,1-2H3