1-ethyl-3-(3-ethylpiperidin-4-yl)-6,8-dinitro-quinazoline-2,4-dione hydrobromide

Systemtic Name: 1-ethyl-3-(3-ethylpiperidin-4-yl)-6,8-dinitro-quinazoline-2,4-dione hydrobromide Openeye Name: 1-ethyl-3-(3-ethyl-4-piperidyl)-6,8-dinitro-quinazoline-2,4-dione hydrobromide CAS Name: 1-ethyl-3-(3-ethyl-4-piperidinyl)-6,8-dinitroquinazoline-2,4-dione hydrobromide IUPAC Name: 1-ethyl-3-(3-ethylpiperidin-4-yl)-6,8-dinitroquinazoline-2,4-dione hydrobromide Traditional Name: 1-ethyl-3-(3-ethyl-4-piperidyl)-6,8-dinitro-quinazoline-2,4-quinone hydrobromide Formula: C17H22BrN5O6 MolecularWeight: 472.29048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CNCCC1N2C(=O)C3=CC(=CC(=C3N(C2=O)CC)[N+](=O)[O-])[N+](=O)[O-].Br

Isomeric SMILES

CCC1CNCCC1N2C(=O)C3=CC(=CC(=C3N(C2=O)CC)[N+](=O)[O-])[N+](=O)[O-].Br

InChI

InChI=1S/C17H21N5O6.BrH/c1-3-10-9-18-6-5-13(10)20-16(23)12-7-11(21(25)26)8-14(22(27)28)15(12)19(4-2)17(20)24;/h7-8,10,13,18H,3-6,9H2,1-2H3;1H