1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(7-bromo-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methyl]isonipecotic acid Formula: C15H16BrN3O4 MolecularWeight: 382.20924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC(=CC3=C2NC(=O)C(=O)N3)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC(=CC3=C2NC(=O)C(=O)N3)Br

InChI

InChI=1S/C15H16BrN3O4/c16-10-5-9(7-19-3-1-8(2-4-19)15(22)23)12-11(6-10)17-13(20)14(21)18-12/h5-6,8H,1-4,7H2,(H,17,20)(H,18,21)(H,22,23)