phenyl 1-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]piperidine-4-carboxylate

Systemtic Name: phenyl 1-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]piperidine-4-carboxylate Openeye Name: phenyl 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-4-piperidinecarboxylic acid phenyl ester IUPAC Name: phenyl 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methyl]isonipecotic acid phenyl ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=CC=C2)CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=CC=C2)CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-]

InChI

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