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

Systemtic Name: 1-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-6-yl)methyl]isonipecotic acid Formula: C15H16N4O6 MolecularWeight: 348.31074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3

InChI

InChI=1S/C15H16N4O6/c20-13-14(21)17-11-6-12(19(24)25)9(5-10(11)16-13)7-18-3-1-8(2-4-18)15(22)23/h5-6,8H,1-4,7H2,(H,16,20)(H,17,21)(H,22,23)