6-(2,5-dihydropyrrol-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide

Systemtic Name: 6-(2,5-dihydropyrrol-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide Openeye Name: 6-(2,5-dihydropyrrol-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide CAS Name: 6-(2,5-dihydropyrrol-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide IUPAC Name: 6-(2,5-dihydropyrrol-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide Traditional Name: 6-nitro-7-(3-pyrrolin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-quinone bromide Formula: C13H12BrN4O4- MolecularWeight: 368.16278

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCN1CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3.[Br-]

Isomeric SMILES

C1C=CCN1CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3.[Br-]

InChI

InChI=1S/C13H12N4O4.BrH/c18-12-13(19)15-10-6-11(17(20)21)8(5-9(10)14-12)7-16-3-1-2-4-16;/h1-2,5-6H,3-4,7H2,(H,14,18)(H,15,19);1H/p-1