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

Systemtic Name: ethyl 1-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]methyl]piperidine-4-carboxylate bromide Openeye Name: ethyl 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methyl]piperidine-4-carboxylate bromide CAS Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methyl]-4-piperidinecarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methyl]piperidine-4-carboxylate bromide Traditional Name: 1-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-6-yl)methyl]isonipecotic acid ethyl ester bromide Formula: C17H20BrN4O6- MolecularWeight: 456.2679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O6.BrH/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);1H/p-1