7-nitro-5-[(3-oxidanylpropylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 7-nitro-5-[(3-oxidanylpropylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-[(3-hydroxypropylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 5-[(3-hydroxypropylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-[(3-hydroxypropylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5-[(3-hydroxypropylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C12H14N4O5 MolecularWeight: 294.26336

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCCCO)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCCCO)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O5/c17-3-1-2-13-6-7-4-8(16(20)21)5-9-10(7)15-12(19)11(18)14-9/h4-5,13,17H,1-3,6H2,(H,14,18)(H,15,19)