6-nitro-7-[(3-oxidanylpyrrolidin-1-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 6-nitro-7-[(3-oxidanylpyrrolidin-1-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 6-[(3-hydroxypyrrolidin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 6-[(3-hydroxy-1-pyrrolidinyl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 6-[(3-hydroxypyrrolidin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 6-[(3-hydroxypyrrolidino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C13H14N4O5 MolecularWeight: 306.27406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3

Isomeric SMILES

C1CN(CC1O)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3

InChI

InChI=1S/C13H14N4O5/c18-8-1-2-16(6-8)5-7-3-9-10(4-11(7)17(21)22)15-13(20)12(19)14-9/h3-4,8,18H,1-2,5-6H2,(H,14,19)(H,15,20)