1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(7-bromo-2,3-diketo-1,4-dihydroquinoxalin-6-yl)methyl]nipecotic acid Formula: C15H16BrN3O4 MolecularWeight: 382.20924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=C(C=C2Br)NC(=O)C(=O)N3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC3=C(C=C2Br)NC(=O)C(=O)N3)C(=O)O

InChI

InChI=1S/C15H16BrN3O4/c16-10-5-12-11(17-13(20)14(21)18-12)4-9(10)7-19-3-1-2-8(6-19)15(22)23/h4-5,8H,1-3,6-7H2,(H,17,20)(H,18,21)(H,22,23)