2-azanyl-3-(4-bromophenyl)-5-oxidanylidene-1,2,4,6,7,8-hexahydroquinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-3-(4-bromophenyl)-5-oxidanylidene-1,2,4,6,7,8-hexahydroquinoline-3-carboxylic acid Openeye Name: 2-amino-3-(4-bromophenyl)-5-oxo-1,2,4,6,7,8-hexahydroquinoline-3-carboxylic acid CAS Name: 2-amino-3-(4-bromophenyl)-5-oxo-1,2,4,6,7,8-hexahydroquinoline-3-carboxylic acid IUPAC Name: 2-amino-3-(4-bromophenyl)-5-oxo-1,2,4,6,7,8-hexahydroquinoline-3-carboxylic acid Traditional Name: 2-amino-3-(4-bromophenyl)-5-keto-1,2,4,6,7,8-hexahydroquinoline-3-carboxylic acid Formula: C16H17BrN2O3 MolecularWeight: 365.22178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC(C(N2)N)(C3=CC=C(C=C3)Br)C(=O)O)C(=O)C1

Isomeric SMILES

C1CC2=C(CC(C(N2)N)(C3=CC=C(C=C3)Br)C(=O)O)C(=O)C1

InChI

InChI=1S/C16H17BrN2O3/c17-10-6-4-9(5-7-10)16(15(21)22)8-11-12(19-14(16)18)2-1-3-13(11)20/h4-7,14,19H,1-3,8,18H2,(H,21,22)