ethyl (5E)-4-(3-bromophenyl)-5-hydroxyimino-2,7,7-trimethyl-6,8-dihydroquinoline-3-carboxylate

Systemtic Name: ethyl (5E)-4-(3-bromophenyl)-5-hydroxyimino-2,7,7-trimethyl-6,8-dihydroquinoline-3-carboxylate Openeye Name: ethyl (5E)-4-(3-bromophenyl)-5-hydroxyimino-2,7,7-trimethyl-6,8-dihydroquinoline-3-carboxylate CAS Name: (5E)-4-(3-bromophenyl)-5-hydroxyimino-2,7,7-trimethyl-6,8-dihydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-4-(3-bromophenyl)-5-hydroxyimino-2,7,7-trimethyl-6,8-dihydroquinoline-3-carboxylate Traditional Name: (5E)-4-(3-bromophenyl)-5-hydroximino-2,7,7-trimethyl-6,8-dihydroquinoline-3-carboxylic acid ethyl ester Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2CC(CC(=NO)C2=C1C3=CC(=CC=C3)Br)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2CC(C/C(=N\O)/C2=C1C3=CC(=CC=C3)Br)(C)C)C

InChI

InChI=1S/C21H23BrN2O3/c1-5-27-20(25)17-12(2)23-15-10-21(3,4)11-16(24-26)19(15)18(17)13-7-6-8-14(22)9-13/h6-9,26H,5,10-11H2,1-4H3/b24-16+