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

Systemtic Name: ethyl 1-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-6-yl)methyl]isonipecotic acid ethyl ester Formula: C17H20N4O6 MolecularWeight: 376.3639

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3

InChI

InChI=1S/C17H20N4O6/c1-2-27-17(24)10-3-5-20(6-4-10)9-11-7-12-13(8-14(11)21(25)26)19-16(23)15(22)18-12/h7-8,10H,2-6,9H2,1H3,(H,18,22)(H,19,23)