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

Systemtic Name: 1-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]methyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-6-yl)methyl]-4-phenyl-isonipecotic acid Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CC3=CC4=C(C=C3[N+](=O)[O-])NC(=O)C(=O)N4

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CC3=CC4=C(C=C3[N+](=O)[O-])NC(=O)C(=O)N4

InChI

InChI=1S/C21H20N4O6/c26-18-19(27)23-16-11-17(25(30)31)13(10-15(16)22-18)12-24-8-6-21(7-9-24,20(28)29)14-4-2-1-3-5-14/h1-5,10-11H,6-9,12H2,(H,22,26)(H,23,27)(H,28,29)