1-[[7-bromanyl-8-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[7-bromanyl-8-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(7-bromo-8-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(7-bromo-8-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(7-bromo-8-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(7-bromo-2,3-diketo-8-nitro-1,4-dihydroquinoxalin-5-yl)methyl]isonipecotic acid Formula: C15H15BrN4O6 MolecularWeight: 427.2068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC(=C(C3=C2NC(=O)C(=O)N3)[N+](=O)[O-])Br

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC(=C(C3=C2NC(=O)C(=O)N3)[N+](=O)[O-])Br

InChI

InChI=1S/C15H15BrN4O6/c16-9-5-8(6-19-3-1-7(2-4-19)15(23)24)10-11(12(9)20(25)26)18-14(22)13(21)17-10/h5,7H,1-4,6H2,(H,17,21)(H,18,22)(H,23,24)