6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide

Systemtic Name: 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide Openeye Name: 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide CAS Name: 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide IUPAC Name: 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide Traditional Name: 6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-quinone bromide Formula: C14H14BrN4O4- MolecularWeight: 382.18936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3.[Br-]

Isomeric SMILES

C1CN(CC=C1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3.[Br-]

InChI

InChI=1S/C14H14N4O4.BrH/c19-13-14(20)16-11-7-12(18(21)22)9(6-10(11)15-13)8-17-4-2-1-3-5-17;/h1-2,6-7H,3-5,8H2,(H,15,19)(H,16,20);1H/p-1